[(3R,10R,13S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-oxidanylethanoate

Systemtic Name: [(3R,10R,13S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-oxidanylethanoate Openeye Name: [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxyacetate CAS Name: 2-hydroxyacetic acid [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-hydroxyacetate Traditional Name: 2-hydroxyacetic acid [(3R,10R,13S)-17-keto-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OC(=O)CO)C

Isomeric SMILES

C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@H](C4)OC(=O)CO)C

InChI

InChI=1S/C21H30O4/c1-20-9-7-14(25-19(24)12-22)11-13(20)3-4-15-16-5-6-18(23)21(16,2)10-8-17(15)20/h3,14-17,22H,4-12H2,1-2H3/t14-,15?,16?,17?,20+,21+/m1/s1