[2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholin-4-yl)-10,13-dimethyl-3-oxidanyl-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[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-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[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-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[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-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[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-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(2S,3S,5S,10S,13S,17S)-2-(2,2-dimethylmorpholino)-3-hydroxy-11-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C29H45NO6 MolecularWeight: 503.6707

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CC(C(C4)O)N5CCOC(C5)(C)C)C)C

Isomeric SMILES

CC(=O)OCC(=O)[C@H]1CCC2[C@@]1(CC(=O)C3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOC(C5)(C)C)C)C

InChI

InChI=1S/C29H45NO6/c1-17(31)35-15-25(34)21-9-8-20-19-7-6-18-12-23(32)22(30-10-11-36-27(2,3)16-30)13-28(18,4)26(19)24(33)14-29(20,21)5/h18-23,26,32H,6-16H2,1-5H3/t18-,19?,20?,21+,22-,23-,26?,28-,29-/m0/s1