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

Systemtic Name: (2S,3S,5S,10S,13S,17S)-17-ethanoyl-10,13-dimethyl-2-[(2R)-2-(2-methylpropyl)morpholin-4-yl]-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Openeye Name: (2S,3S,5S,10S,13S,17S)-17-acetyl-3-hydroxy-2-[(2R)-2-isobutylmorpholin-4-yl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one CAS Name: (2S,3S,5S,10S,13S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-[(2R)-2-(2-methylpropyl)-4-morpholinyl]-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one IUPAC Name: (2S,3S,5S,10S,13S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2-[(2R)-2-(2-methylpropyl)morpholin-4-yl]-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Traditional Name: (2S,3S,5S,10S,13S,17S)-17-acetyl-3-hydroxy-2-[(2R)-2-isobutylmorpholino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Formula: C29H47NO4 MolecularWeight: 473.68778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCO1)C2CC3(C(CCC4C3C(=O)CC5(C4CCC5C(=O)C)C)CC2O)C

Isomeric SMILES

CC(C)C[C@@H]1CN(CCO1)[C@H]2C[C@]3([C@@H](CCC4C3C(=O)C[C@]5(C4CC[C@@H]5C(=O)C)C)C[C@@H]2O)C

InChI

InChI=1S/C29H47NO4/c1-17(2)12-20-16-30(10-11-34-20)24-14-28(4)19(13-25(24)32)6-7-21-23-9-8-22(18(3)31)29(23,5)15-26(33)27(21)28/h17,19-25,27,32H,6-16H2,1-5H3/t19-,20+,21?,22+,23?,24-,25-,27?,28-,29+/m0/s1