[2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholin-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]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholin-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]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholin-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]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethyl-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]-2-oxoethyl] ester IUPAC Name: [2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholin-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]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholino)-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]-2-keto-ethyl] ester Formula: C29H47NO5 MolecularWeight: 489.68718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOC(C5)(C)C)C)C

Isomeric SMILES

CC(=O)OCC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOC(C5)(C)C)C)C

InChI

InChI=1S/C29H47NO5/c1-18(31)34-16-26(33)23-9-8-21-20-7-6-19-14-25(32)24(30-12-13-35-27(2,3)17-30)15-29(19,5)22(20)10-11-28(21,23)4/h19-25,32H,6-17H2,1-5H3/t19-,20?,21?,22?,23+,24-,25-,28-,29-/m0/s1