2-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]ethanoate

Systemtic Name: 2-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]ethanoate Openeye Name: 2-(3,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)acetate CAS Name: 2-(3,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)acetate IUPAC Name: 2-(3,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)acetate Traditional Name: 2-(3,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)acetate Formula: C21H31O4- MolecularWeight: 347.46844

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)(CC(=O)[O-])O)C

Isomeric SMILES

CC12CCC3C(C1CCC2O)CC=C4C3(CCC(C4)(CC(=O)[O-])O)C

InChI

InChI=1S/C21H32O4/c1-19-9-10-21(25,12-18(23)24)11-13(19)3-4-14-15-5-6-17(22)20(15,2)8-7-16(14)19/h3,14-17,22,25H,4-12H2,1-2H3,(H,23,24)/p-1