| | PYROPHEOPHORBIDE-A CAS:24533-72-0 Formula: C33H34N4O3 FT-0697012 534.648 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid PYRROMETHENE 546 CAS:121207-31-6 Formula: C14H17BF2N2 FT-0701408 262.10600 2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene QINGYANGSHENGENIN CAS:84745-94-8 Formula: C28H36O9 FT-0699046 516.6 [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate QUASSIN CAS:76-78-8 Formula: C22H28O6 FT-0603283 388.454 (1R,2S,6S,7R,9R,13S,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione QUERCETIN 3-O-SS-D-GLUCOSE-7-O-SS-D-GENTIOBIOSIDE CAS:60778-02-1 FT-0775761 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one QUINESTROL CAS:152-43-2 Formula: C25H32O2 FT-0603362 364.5 (8R,9S,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol QUINOLINECARBOXYLIC ACID CAS:1029364-73-5 Formula: C22H27N3O5 FT-0689611 413.467 7-[(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6,8-dimethoxy-4-oxoquinoline-3-carboxylic acid QUINUPRISTIN CAS:120138-50-3 Formula: C53H67N9O10S FT-0674292 1022.22000 N-[(3S,6R,12R,15S,16R,19R,22S,25R)-25-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3 RAC SECOISOLARICIRESINOL DIGLUCOSIDE CAS:158932-33-3 Formula: C32H46O16 FT-0674549 686.698 (2R,3R,4S,5S,6R)-2-[(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol RAFFINOSE CAS:512-69-6 Formula: C18H32O16 FT-0632258 504.437 (2S,3S,4S,5R,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol RAFFINOSE UNDECAACETATE CAS:6424-12-0 Formula: C40H54O27 FT-0625609 966.84100 [(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4S,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate RAMIPRILAT ACYL-B-D-GLUCURONIDE >65% CAS:1357570-22-9 FT-0674319 (3S,5S,6S)-6-[(2R,3aR,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid RAUBASIN CAS:146-48-5 Formula: C21H26N2O3 FT-0696324 354.443 methyl (1S,15R,18S,19R,20R)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate RAUBASINE CAS:483-04-5 Formula: C21H24N2O3 FT-0621941 352.427 methyl (1R,15R,16S,20R)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate RESCINNAMINE CAS:24815-24-5 Formula: C35H42N2O9 FT-0630514 634.71600 methyl (1S,15S,17R,18R,19R,20R)-6,18-dimethoxy-17-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyloxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate RESERPIC ACID METHYL ESTER CAS:2901-66-8 Formula: C23H30N2O5 FT-0674349 414.49 methyl (17R,18R,19R)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate RETAPAMULIN CAS:224452-66-8 Formula: C30H47NO4S FT-0701139 517.763 [(1S,2S,3S,4S,6R,7R,8S,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate REVALOR-H CAS:10161-34-9 Formula: C20H24O3 FT-0636649 312.4 [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate RIFABUTINE CAS:72559-06-9 Formula: C46H62N4O11 FT-0630813 847.005 [(7S,11S,12R,13S,14R,15R,16R,17R,18S)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4' RIFAMDIN CAS:89499-17-2 Formula: C46H64N4O12 FT-0674426 865.02 [2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[4-(2-methylpropyl)piperazin-1-yl]iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate RIFAMPICIN CAS:13292-46-1 Formula: C43H58N4O12 FT-0601631 822.940 [(7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] hy RIFAMPICIN N-OXIDE CAS:51963-55-4 Formula: C43H58N4O13 FT-0674427 838.94 1-[(7S,11S,12R,13S,14R,15R,16R,17R,18S)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]-N-(4-methylpiperazin-1-yl)me RIFAMYCIN B CAS:13929-35-6 Formula: C39H49NO14 FT-0674429 755.80500 2-[[(7S,11S,12S,13S,14R,15R,16R,17S,18S)-13-acetyloxy-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-27-yl]oxy]acetic acid RIFAMYCIN O CAS:14487-05-9 Formula: C39H47NO14 FT-0630416 767.815 [(7'S,11'S,12'S,13'S,14'R,15'R,16'R,17'S,18'S)-2',15',17'-trihydroxy-11'-methoxy-3',7',12',14',16',18',22'-heptamethyl-4,6',23',29'-tetraoxospiro[1,3-dioxolane-2,27'-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaene]-13 RIFAMYCIN SODIUM SALT CAS:14897-39-3 Formula: C37H46NNaO12 FT-0630420 719.750 sodium;[(7S,11S,12S,13S,14R,15R,16R,17S,18S)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate RIFAXIMIN CAS:80621-81-4 Formula: C43H51N3O11 FT-0651879 785.878 [(7S,11S,12R,13S,14R,15R,16R,17R,18S)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-y RIMEXOLONE CAS:49697-38-3 Formula: C24H34O3 FT-0674420 370.525 (8R,9S,10R,11S,13S,14R,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one ROCURONIUM BROMIDE CAS:119302-91-9 Formula: C32H53BrN2O4 FT-0631094 609.7 [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide ROCURONIUM BROMIDE EP IMPURITY A CAS:119302-24-8 Formula: C29H48N2O4 FT-0658506 488.702 [(2S,3S,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate ROCURONIUM BROMIDE EP IMPURITY C CAS:119302-86-2 Formula: C30H51BrN2O3 FT-0665917 567.6 (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide ROKITAMYCIN CAS:74014-51-0 Formula: C42H69NO15 FT-0630826 827.99500 [(2S,3S,4R,6S)-6-[(2R,3S,4S,5R,6S)-6-[[(4R,5R,6S,7R,9R,10R,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-propanoyloxyoxan-3-yl] but ROLITETRACYCLINE CAS:751-97-3 Formula: C27H34N4O11 FT-0603513 590.6 (2Z,4S,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidin-1-ylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; nitric acid ROMIDEPSIN CAS:128517-07-7 Formula: C24H36N4O6S2 FT-0674421 540.7 (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone ROSAVIN CAS:84954-92-7 Formula: C20H28O10 FT-0656140 428.4 (2S,3R,4S,5S,6R)-2-[(E)-3-phenylprop-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol ROTENONE CAS:83-79-4 Formula: C23H22O6 FT-0774778 394.417 (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one RUBITECAN CAS:91421-42-0 Formula: C20H15N3O6 FT-0630977 393.350 (19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione RUBITECAN CAS:104195-61-1 Formula: C20H15N3O6 FT-0696321 393.350 19-ethyl-19-hydroxy-7-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione RUTAECARPINE CAS:84-26-4 Formula: C18H13N3O FT-0653229 287.315 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one RUTIN CAS:153-18-4 Formula: C27H30O16 FT-0601605 610.5 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one RYANODINE CAS:15662-33-6 Formula: C25H35NO9 FT-0630429 493.547 [(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate SAIKOSAPONIN B1 CAS:58558-08-0 Formula: C42H68O13 FT-0630705 781 (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4, SALINOMYCIN CAS:55721-31-8 Formula: C42H71NaO12 FT-0674506 790.996 sodium;(2R)-2-[(2S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,10R,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]buta SALINOMYCIN CAS:53003-10-4 Formula: C42H69NaO11 FT-0630657 750.999 (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10R,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butan SALVINORIN A CAS:83729-01-5 Formula: C23H28O8 FT-0674513 432.5 methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate SALVINORIN B CAS:92545-30-7 Formula: C21H26O7 FT-0674514 390.43 methyl (2S,4aR,6aR,7S,9S,10aR,10bR)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate SANGUINARINE CAS:2447-54-3 Formula: C20H14NO4 FT-0634289 332.329 24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene SANGUINARINE CHLORIDE CAS:5578-73-4 Formula: C20H14ClNO4 FT-0603674 367.783 24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene;chloride SAPONARIN CAS:20310-89-8 Formula: C27H30O15 FT-0645085 594.5 5-hydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SAPONIN CAS:8047-15-2 Formula: N/A FT-0645090 1645.293 (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-9-methoxy-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S, SAQUINAVIR CAS:127779-20-8 Formula: C39H54N6O8S FT-0631125 766.9 (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide; methanesulfonic acid SAQUINAVIR MESYLATE CAS:149845-06-7 Formula: C39H54N6O8S FT-0631179 766.9 (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide; methanesulfonic acid SCHISANTHERIN A CAS:58546-56-8 Formula: C30H32O9 FT-0686703 536.570 [(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate SCHIZOPHYLLAN CAS:9050-67-3 Formula: C24H42O21 FT-0700519 666.57800 (2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol SCILLARENIN CAS:465-22-5 Formula: C24H32O4 FT-0674539 384.5 5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one SCLAREOL CAS:515-03-7 Formula: C20H36O2 FT-0603435 308.5 (1R,2R,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol SCLAREOLIDE CAS:564-20-5 Formula: C16H26O2 FT-0603475 250.38 3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydronaphtho[8,7-d]furan-2-one SCOPOLAMINE B-D-GLUCURONIDE CAS:17660-02-5 Formula: C23H28NO10 FT-0674541 478.47 (2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S)-3-[[(1R,2S,4S,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl]oxy]-3-oxo-2-phenylpropoxy]oxane-2-carboxylate SEGESTERONE CAS:7690-08-6 Formula: C21H28O3 FT-0701109 328.45 (8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-16-methylidene-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one SEGETALIN A CAS:161875-97-4 Formula: C31H43N7O6 FT-0674550 609.71600 (3S,9S,12S,15S,18R)-12-(1H-indol-3-ylmethyl)-9-methyl-3,15-di(propan-2-yl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone SEMDURAMYCIN CAS:113378-31-7 Formula: C45H76O16 FT-0699679 873.07500 2-[(2R,3S,4S,5R)-2,4-dihydroxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2R,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[ SENNOSIDE B CAS:128-57-4 Formula: C42H38O20 FT-0603338 862.7 (9S)-9-[(9R)-2-Carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid SHIONONE CAS:10376-48-4 Formula: C30H50O FT-0697220 426.7 (1R,4bS,6aS,8R,10aR,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-enyl)-1,3,4,4a,5,6,7,9,10,10b,11,12-dodecahydrochrysen-2-one SIALYL LEWIS X CAS:98603-84-0 Formula: C31H52N2O23 FT-0674577 820.7 (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropy SIMVASTATIN CAS:79902-63-9 Formula: C25H38O5 FT-0601593 418.6 [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate SIMVASTATIN 4'-METHYL ETHER CAS:864357-88-0 FT-0674595 [(1S,3R,7S,8S,8aS)-8-[2-[(2R,4S)-4-methoxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate SIMVASTATIN DIMER IMPURITY CAS:476305-24-5 Formula: C50H76O10 FT-0674590 837.132 [(2R,4R)-2-[2-[(1S,2S,6R,8S,8aS)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydro SIMVASTATIN HYDROXY ACID AMMONIUM SALT CAS:139893-43-9 Formula: C25H43NO6 FT-0674592 453.612 (3R,5R)-7-[(1R,2S,6R,8S,8aS)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;azane SIMVASTATIN HYDROXY ACID METHYL ESTER CAS:145576-26-7 Formula: C26H42O6 FT-0674591 450.60800 methyl (3R,5R)-7-[(1S,2S,6R,8S,8aS)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate SISOMICIN CAS:32385-11-8 Formula: C19H39N5O11S FT-0674599 545.60500 (2R,3R,4R,5R)-2-[(1S,2R,3R,4S,6R)-4,6-diamino-3-[[(2S,3S)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol SISOMICIN SULFATE CAS:53179-09-2 Formula: C38H84N10O34S5 FT-0652437 1385.445 (2R,3R,4R,5R)-2-[(1R,2S,3R,4S,6S)-4,6-diamino-3-[[(2S,3S)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid SMILAGENIN CAS:126-18-1 Formula: C27H44O3 FT-0603331 416.63600 (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol SN-38 GLUCURONIDE CAS:121080-63-5 Formula: C28H28N2O11 FT-0674609 568.53 (2S,3S,4S,5S,6S)-6-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid SN-38-D3 CAS:718612-49-8 Formula: C22H20N2O5 FT-0674608 395.42 (19S)-19-ethyl-7,19-dihydroxy-10-(2,2,2-trideuterioethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione SODIUM 2-(7-(3,3-DIMETHYL-1-(4-SULFONATOBUTYL)BENZ(E)INDOLIN-2-YLIDENE)HEPTA-1,3,5-TRIEN-1-YL)-3,3-DIMETHYL-1-(4-SULFONATOBUTYL)BENZ[E]INDOLINIUM CAS:3599-32-4 Formula: C43H47N2NaO6S2 FT-0603640 774.963 sodium;4-[(2E)-2-[(2E,4E,6Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate SODIUM CHOLATE CAS:361-09-1 Formula: C24H39NaO5 FT-0632038 430.553 sodium;(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate SODIUM DEHYDROCHOLATE CAS:145-41-5 Formula: C24H33NaO5 FT-0631843 424.5 sodium 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate SODIUM DEOXYCHOLATE CAS:302-95-4 Formula: C24H39NaO4 FT-0624512 414.6 sodium (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |