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

Systemtic Name: [(8R,9S,10S,13S,14S)-10,13-dimethyl-3,6,17-tris(oxidanylidene)-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-2-yl] ethanoate Openeye Name: [(8R,9S,10S,13S,14S)-10,13-dimethyl-3,6,17-trioxo-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-2-yl] acetate CAS Name: acetic acid [(8R,9S,10S,13S,14S)-10,13-dimethyl-3,6,17-trioxo-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-2-yl] ester IUPAC Name: [(8R,9S,10S,13S,14S)-10,13-dimethyl-3,6,17-trioxo-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-2-yl] acetate Traditional Name: acetic acid [(8R,9S,10S,13S,14S)-3,6,17-triketo-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-2-yl] ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2(C3CCC4(C(C3CC(=O)C2=CC1=O)CCC4=O)C)C

Isomeric SMILES

CC(=O)OC1=C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC(=O)C2=CC1=O)CCC4=O)C)C

InChI

InChI=1S/C21H24O5/c1-11(22)26-18-10-21(3)14-6-7-20(2)13(4-5-19(20)25)12(14)8-16(23)15(21)9-17(18)24/h9-10,12-14H,4-8H2,1-3H3/t12-,13-,14-,20-,21+/m0/s1