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

Systemtic Name: 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-1-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-1-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid CAS Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-1-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid IUPAC Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-1-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid Traditional Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-1-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid Formula: C27H46O5 MolecularWeight: 450.65114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(CC2C1(C3CC(C4(C(C3C(C2)O)CCC4C(C)CCC(=O)O)C)O)C)O

Isomeric SMILES

CCCC1CC(CC2C1(C3CC(C4(C(C3C(C2)O)CCC4C(C)CCC(=O)O)C)O)C)O

InChI

InChI=1S/C27H46O5/c1-5-6-16-11-18(28)12-17-13-22(29)25-20-9-8-19(15(2)7-10-24(31)32)27(20,4)23(30)14-21(25)26(16,17)3/h15-23,25,28-30H,5-14H2,1-4H3,(H,31,32)