methyl (7R,13S)-3-methoxy-13-methyl-17-oxidanylidene-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthrene-7-carboxylate

Systemtic Name: methyl (7R,13S)-3-methoxy-13-methyl-17-oxidanylidene-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthrene-7-carboxylate Openeye Name: methyl (7R,13S)-3-methoxy-13-methyl-17-oxo-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthrene-7-carboxylate CAS Name: (7R,13S)-3-methoxy-13-methyl-17-oxo-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthrene-7-carboxylic acid methyl ester IUPAC Name: methyl (7R,13S)-3-methoxy-13-methyl-17-oxo-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthrene-7-carboxylate Traditional Name: (7R,13S)-17-keto-3-methoxy-13-methyl-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthrene-7-carboxylic acid methyl ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1=CCC2=O)C(CC4=C3C=CC(=C4)OC)C(=O)OC

Isomeric SMILES

C[C@]12CCC3=C(C1=CCC2=O)[C@@H](CC4=C3C=CC(=C4)OC)C(=O)OC

InChI

InChI=1S/C21H22O4/c1-21-9-8-15-14-5-4-13(24-2)10-12(14)11-16(20(23)25-3)19(15)17(21)6-7-18(21)22/h4-6,10,16H,7-9,11H2,1-3H3/t16-,21+/m1/s1