methyl (8R,13S,14S)-3-methoxy-17-oxidanylidene-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylate

Systemtic Name: methyl (8R,13S,14S)-3-methoxy-17-oxidanylidene-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylate Openeye Name: methyl (8R,13S,14S)-3-methoxy-17-oxo-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylate CAS Name: (8R,13S,14S)-3-methoxy-17-oxo-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylic acid methyl ester IUPAC Name: methyl (8R,13S,14S)-3-methoxy-17-oxo-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylate Traditional Name: (8R,13S,14S)-17-keto-3-methoxy-7,8,12,13-tetrahydro-6H-cyclopenta[a]phenanthrene-14-carboxylic acid methyl ester Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=CCC4C(=O)C=CC4(C3CC2)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C3=CC[C@@H]4C(=O)C=C[C@@]4([C@@H]3CC2)C(=O)OC

InChI

InChI=1S/C20H20O4/c1-23-13-4-5-14-12(11-13)3-7-16-15(14)6-8-17-18(21)9-10-20(16,17)19(22)24-2/h4-6,9-11,16-17H,3,7-8H2,1-2H3/t16-,17-,20+/m1/s1