methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-12-[(4-phenylphenyl)methoxy]-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-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-12-[(4-phenylphenyl)methoxy]-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-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-[(4-phenylphenyl)methoxy]-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-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-[(4-phenylphenyl)methoxy]-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-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-[(4-phenylphenyl)methoxy]-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-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-(4-phenylbenzyl)oxy-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: C38H52O4 MolecularWeight: 572.81708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)OCC5=CC=C(C=C5)C6=CC=CC=C6)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]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)OCC5=CC=C(C=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C38H52O4/c1-25(10-19-36(40)41-4)32-17-18-33-31-16-15-29-22-30(39)20-21-37(29,2)34(31)23-35(38(32,33)3)42-24-26-11-13-28(14-12-26)27-8-6-5-7-9-27/h5-9,11-14,25,29-35,39H,10,15-24H2,1-4H3/t25-,29-,30-,31+,32-,33+,34+,35+,37+,38-/m1/s1