[(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] propanoate

Systemtic Name: [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-bis(oxidanylidene)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] propanoate Openeye Name: [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] propanoate CAS Name: propanoic acid [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] ester IUPAC Name: [(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] propanoate Traditional Name: propionic acid [(6R,8R,9S,10R,13S,14S)-3,17-diketo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-6-yl] ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CC2C3CCC(=O)C3(CCC2C4(C1=CC(=O)CC4)C)C

Isomeric SMILES

CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C

InChI

InChI=1S/C22H30O4/c1-4-20(25)26-18-12-14-15-5-6-19(24)22(15,3)10-8-16(14)21(2)9-7-13(23)11-17(18)21/h11,14-16,18H,4-10,12H2,1-3H3/t14-,15-,16-,18+,21+,22-/m0/s1