[10,13-dimethyl-1-(methylcarbamoyloxy)-17-(1-oxidanylidenepropan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [10,13-dimethyl-1-(methylcarbamoyloxy)-17-(1-oxidanylidenepropan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [10,13-dimethyl-1-(methylcarbamoyloxy)-17-(1-methyl-2-oxo-ethyl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [10,13-dimethyl-1-(methylcarbamoyloxy)-17-(1-oxopropan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-1-(methylcarbamoyloxy)-17-(1-oxopropan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [17-(2-keto-1-methyl-ethyl)-10,13-dimethyl-1-(methylcarbamoyloxy)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H39NO5 MolecularWeight: 505.64506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C5=CC=CC=C5)OC(=O)NC)C)C

Isomeric SMILES

CC(C=O)C1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)OC(=O)C5=CC=CC=C5)OC(=O)NC)C)C

InChI

InChI=1S/C31H39NO5/c1-19(18-33)24-12-13-25-23-11-10-21-16-22(36-28(34)20-8-6-5-7-9-20)17-27(37-29(35)32-4)31(21,3)26(23)14-15-30(24,25)2/h5-11,18-19,22,24-27H,12-17H2,1-4H3,(H,32,35)