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

Systemtic Name: (10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) benzoate Openeye Name: (3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) benzoate CAS Name: benzoic acid (3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) benzoate Traditional Name: benzoic acid (3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl) ester Formula: C26H32O3 MolecularWeight: 392.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(=CC=C4C3(CCC(C4)O)C)C1CCC2OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC12CCC3C(=CC=C4C3(CCC(C4)O)C)C1CCC2OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-9,19,21-23,27H,10-16H2,1-2H3