methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-16-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-16-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetoxy-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetoxy-16-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C29H44O7 MolecularWeight: 504.65546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1C(=O)CC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)27-24(32)14-23-21-9-8-19-13-20(35-17(2)30)11-12-28(19,4)22(21)15-25(29(23,27)5)36-18(3)31/h16,19-23,25,27H,7-15H2,1-6H3/t16-,19-,20-,21-,22+,23+,25+,27+,28+,29-/m1/s1