(3Z)-3-[10,13-dimethyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]propanoic acid

Systemtic Name: (3Z)-3-[10,13-dimethyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]propanoic acid Openeye Name: (3Z)-3-(10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene)propanoic acid CAS Name: (3Z)-3-(10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene)propanoic acid IUPAC Name: (3Z)-3-(10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene)propanoic acid Traditional Name: (3Z)-3-(3,11-diketo-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene)propionic acid Formula: C22H26O4 MolecularWeight: 354.43944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C3C(C1CCC2=CCC(=O)O)CCC4=CC(=O)C=CC34C

Isomeric SMILES

CC1\2CC(=O)C3C(C1CC/C2=C/CC(=O)O)CCC4=CC(=O)C=CC34C

InChI

InChI=1S/C22H26O4/c1-21-10-9-15(23)11-14(21)3-6-16-17-7-4-13(5-8-19(25)26)22(17,2)12-18(24)20(16)21/h5,9-11,16-17,20H,3-4,6-8,12H2,1-2H3,(H,25,26)/b13-5-