(13-methyl-17-oxidanyl-16-oxidanylidene-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate

Systemtic Name: (13-methyl-17-oxidanyl-16-oxidanylidene-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate Openeye Name: (17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate CAS Name: benzoic acid (17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate Traditional Name: benzoic acid (17-hydroxy-16-keto-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(=O)C2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC12CCC3C(C1CC(=O)C2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H26O4/c1-25-12-11-19-18-10-8-17(29-24(28)15-5-3-2-4-6-15)13-16(18)7-9-20(19)21(25)14-22(26)23(25)27/h2-6,8,10,13,19-21,23,27H,7,9,11-12,14H2,1H3