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

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 8-methylnonanoate Openeye Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 8-methylnonanoate CAS Name: 8-methylnonanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 8-methylnonanoate Traditional Name: 8-methylpelargonic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C29H46O3 MolecularWeight: 442.67374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

Isomeric SMILES

CC(C)CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

InChI

InChI=1S/C29H46O3/c1-20(2)9-7-5-6-8-10-27(31)32-26-14-13-24-23-12-11-21-19-22(30)15-17-28(21,3)25(23)16-18-29(24,26)4/h19-20,23-26H,5-18H2,1-4H3/t23-,24-,25-,26-,28-,29-/m0/s1