1-[(2S,3S,5S,10S,13S,17S)-2-[(2R)-2-ethylmorpholin-4-yl]-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Systemtic Name: 1-[(2S,3S,5S,10S,13S,17S)-2-[(2R)-2-ethylmorpholin-4-yl]-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Openeye Name: 1-[(2S,3S,5S,10S,13S,17S)-2-[(2R)-2-ethylmorpholin-4-yl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone CAS Name: 1-[(2S,3S,5S,10S,13S,17S)-2-[(2R)-2-ethyl-4-morpholinyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone IUPAC Name: 1-[(2S,3S,5S,10S,13S,17S)-2-[(2R)-2-ethylmorpholin-4-yl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Traditional Name: 1-[(2S,3S,5S,10S,13S,17S)-2-[(2R)-2-ethylmorpholino]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCO1)C2CC3(C(CCC4C3CCC5(C4CCC5C(=O)C)C)CC2O)C

Isomeric SMILES

CC[C@@H]1CN(CCO1)[C@H]2C[C@]3([C@@H](CCC4C3CC[C@]5(C4CC[C@@H]5C(=O)C)C)C[C@@H]2O)C

InChI

InChI=1S/C27H45NO3/c1-5-19-16-28(12-13-31-19)24-15-27(4)18(14-25(24)30)6-7-20-22-9-8-21(17(2)29)26(22,3)11-10-23(20)27/h18-25,30H,5-16H2,1-4H3/t18-,19+,20?,21+,22?,23?,24-,25-,26+,27-/m0/s1