(2S,3S,5S,10S,13S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanyl-2-[(2R)-2-propan-2-ylmorpholin-4-yl]-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-3-oxidanyl-2-[(2R)-2-propan-2-ylmorpholin-4-yl]-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-isopropylmorpholin-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-propan-2-yl-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-propan-2-ylmorpholin-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-isopropylmorpholino]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one Formula: C28H45NO4 MolecularWeight: 459.6612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCO1)C2CC3(C(CCC4C3C(=O)CC5(C4CCC5C(=O)C)C)CC2O)C

Isomeric SMILES

CC(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/C28H45NO4/c1-16(2)25-15-29(10-11-33-25)22-13-27(4)18(12-23(22)31)6-7-19-21-9-8-20(17(3)30)28(21,5)14-24(32)26(19)27/h16,18-23,25-26,31H,6-15H2,1-5H3/t18-,19?,20+,21?,22-,23-,25-,26?,27-,28+/m0/s1