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

Systemtic Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-17-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetoxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetoxy-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C29H46O7 MolecularWeight: 506.67134

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1(CCC2C1(CCC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C29H46O7/c1-17(7-8-25(32)34-6)29(33)14-11-23-26-22(10-13-28(23,29)5)27(4)12-9-21(35-18(2)30)15-20(27)16-24(26)36-19(3)31/h17,20-24,26,33H,7-16H2,1-6H3/t17-,20+,21-,22+,23+,24-,26-,27+,28+,29+/m1/s1