[2-oxidanylidene-2-(10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] benzoate

Systemtic Name: [2-oxidanylidene-2-(10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl] benzoate Openeye Name: [2-(17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-(17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester IUPAC Name: [2-(17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-(17-hydroxy-3-keto-10,13,16-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-keto-ethyl] ester Formula: C29H34O5 MolecularWeight: 462.57726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC4=CC(=O)CCC4(C3=CCC2(C1(C(=O)COC(=O)C5=CC=CC=C5)O)C)C

Isomeric SMILES

CC1CC2C3CCC4=CC(=O)CCC4(C3=CCC2(C1(C(=O)COC(=O)C5=CC=CC=C5)O)C)C

InChI

InChI=1S/C29H34O5/c1-18-15-24-22-10-9-20-16-21(30)11-13-27(20,2)23(22)12-14-28(24,3)29(18,33)25(31)17-34-26(32)19-7-5-4-6-8-19/h4-8,12,16,18,22,24,33H,9-11,13-15,17H2,1-3H3