3-[10,13-dimethyl-2,3,3-tris(oxidanyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

Systemtic Name: 3-[10,13-dimethyl-2,3,3-tris(oxidanyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]butanoic acid Openeye Name: 3-(2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)butanoic acid CAS Name: 3-(2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)butanoic acid IUPAC Name: 3-(2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)butanoic acid Traditional Name: 3-(2,3,3-trihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)butyric acid Formula: C23H38O5 MolecularWeight: 394.54482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)(O)O)O)C)C

Isomeric SMILES

CC(CC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)(O)O)O)C)C

InChI

InChI=1S/C23H38O5/c1-13(10-20(25)26)16-6-7-17-15-5-4-14-11-23(27,28)19(24)12-22(14,3)18(15)8-9-21(16,17)2/h13-19,24,27-28H,4-12H2,1-3H3,(H,25,26)