(4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-3-keto-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H36O3 MolecularWeight: 372.54084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(C=CC(=O)C4)C)C

InChI

InChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h10,12,15-16,18-21H,4-9,11,13-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1