methyl (4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3-methylsulfonyloxy-7-oxidanyl-12-(phenylcarbamoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3-methylsulfonyloxy-7-oxidanyl-12-(phenylcarbamoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-methylsulfonyloxy-12-(phenylcarbamoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-[anilino(oxo)methoxy]-7-hydroxy-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-methylsulfonyloxy-12-(phenylcarbamoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-methylsulfonyloxy-12-(phenylcarbamoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C33H49NO8S MolecularWeight: 619.80906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OS(=O)(=O)C)C)O)OC(=O)NC5=CC=CC=C5)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)C)C)O)OC(=O)NC5=CC=CC=C5)C

InChI

InChI=1S/C33H49NO8S/c1-20(11-14-29(36)40-4)24-12-13-25-30-26(19-28(33(24,25)3)41-31(37)34-22-9-7-6-8-10-22)32(2)16-15-23(42-43(5,38)39)17-21(32)18-27(30)35/h6-10,20-21,23-28,30,35H,11-19H2,1-5H3,(H,34,37)/t20-,21+,23+,24-,25+,26+,27-,28+,30+,32+,33-/m1/s1