[(13S,14S)-13-methyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate

Systemtic Name: [(13S,14S)-13-methyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate Openeye Name: [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate CAS Name: benzoic acid [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(13S,14S)-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] benzoate Traditional Name: benzoic acid [(13S,14S)-17-keto-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl] ester Formula: C25H22O3 MolecularWeight: 370.44038

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-10,15,22H,11-14H2,1H3/t22-,25-/m0/s1