3,6-Dioxo-5alpha-cholan-24-oic Acid
(4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 5alpha-Cholanic acid-3,6-dione|3,6-Dioxo-5alpha-cholan-24-oic Acid|3,6-Dioxo-5a-cholan-24-oic acid|TN8444|(5|A)-3,6-Dioxocholan-24-oic acid|(5alpha)-3,6-Dioxocholan-24-oic acid|Cholan-24-oicacid, 3,6-dioxo-, (5a)- (9CI)|(4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-|(4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|4-(10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
| Molecular Formula | C24H36O4 |
|---|---|
| Molecular Weight | 388.26135 g/mol |
| LogP | 4.8943 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.26135 |
| Monoisotopic Mass | 388.26135 |
| Heavy Atoms | 28 |
| Complexity | 684.09265 |
Chemical Identifiers
| CAS Number | 6929-22-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CCC(=O)C4)C)C |
Product Overview
3,6-Dioxo-5alpha-cholan-24-oic Acid (CAS 6929-22-2), with molecular formula C24H36O4 and molecular weight 388.26135 g/mol. IUPAC: (4R)-4-[(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.