3,12-Diketo-5β-cholanoic acid (Cat No.:C001146) is a synthetic bile acid derivative. It belongs to the class of bile acids, naturally occurring substances crucial for fat digestion. This compound is of interest in pharmaceutical research due to its potential therapeutic applications. If you need it, contact us and we will reply to you within 24 hours.
| Catalog Number | C001146 |
| CAS Number | 2958-05-6 |
| Synonyms | 3,12-Dioxodeoxycholic Acid; Dehydrodeoxycholic Acid; (5β)-3,12-Dioxocholan-24-oic Acid; 5b-CHOLANIC ACID-3,12-DIONE |
| Molecular Formula | C₂₄H₃₆O₄ |
| Purity | ≥95% |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Appearance | White to Off-White Solid |
| Storage | 4°C, Inert atmosphere |
| IUPAC Name | (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI | InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,23+,24-/m1/s1 |
| InChIKey | XNTYYYINMGRBQW-ZEZONBOOSA-N |
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(=O)C4)C)C |
| Reference | Mihalj, P.: Steroids, 75, 424-431 (2010) |
