(13-methyl-17-oxidanylidene-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-methylbutanoate

Systemtic Name: (13-methyl-17-oxidanylidene-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-methylbutanoate Openeye Name: (13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-methylbutanoate CAS Name: 2-methylbutanoic acid (13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl) 2-methylbutanoate Traditional Name: 2-methylbutyric acid (17-keto-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl) ester Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CCC4=O)C

Isomeric SMILES

CCC(C)C(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3=CC2)CCC4=O)C

InChI

InChI=1S/C23H28O3/c1-4-14(2)22(25)26-16-6-8-17-15(13-16)5-7-19-18(17)11-12-23(3)20(19)9-10-21(23)24/h6-8,13-14,18,20H,4-5,9-12H2,1-3H3