[(9R,10R,13S,17S)-13-methyl-3-oxidanylidene-2,9,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate

Systemtic Name: [(9R,10R,13S,17S)-13-methyl-3-oxidanylidene-2,9,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Openeye Name: [(9R,10R,13S,17S)-13-methyl-3-oxo-2,9,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(9R,10R,13S,17S)-13-methyl-3-oxo-2,9,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(9R,10R,13S,17S)-13-methyl-3-oxo-2,9,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(9R,10R,13S,17S)-3-keto-13-methyl-2,9,10,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C23H30O3 MolecularWeight: 354.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C4CCC(=O)C=C4C=CC3=C1CCC2OC(=O)C(C)(C)C

Isomeric SMILES

C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=CC3=C1CC[C@@H]2OC(=O)C(C)(C)C

InChI

InChI=1S/C23H30O3/c1-22(2,3)21(25)26-20-10-9-19-18-7-5-14-13-15(24)6-8-16(14)17(18)11-12-23(19,20)4/h5,7,13,16-17,20H,6,8-12H2,1-4H3/t16-,17+,20-,23-/m0/s1