6,7-diketolithocholic acid
Catalog Number | BL-M000480 |
CAS Number | 1643669-23-1 |
Description | 6,7-diketolithocholic acid, a derivative of lithocholic acid, is a promising compound in the biomedical field due to its therapeutic implications for liver ailments and gallstone pathogenesis. Its capacity to regulate bile acid metabolism and impact cholesterol profiles has garnered significant attention from researchers. |
IUPAC Name | (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6,7-dioxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
Synonyms | 5beta-cholanic acid-3alpha-ol-6,7-dione; 6,7-Diketo-LCA |
Molecular Weight | 404.55 |
Molecular Formula | C24H36O5 |
Boiling Point | 567.0±25.0 °C at 760 mmHg |
Purity | >99% |
Density | 1.2±0.1 g/cm3 |
Appearance | Powder |
Shelf Life | 1 Year |
Storage | Store at -20°C |
Percent Composition | C 71.26%, H 8.97%, O 19.77% |
Canonical SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)C(=O)C4C3(CCC(C4)O)C)C |
InChI | InChI=1S/C24H36O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20,25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,23-,24-/m1/s1 |
InChI Key | FRIRHJVKXFYECW-ZTERCDMUSA-N |
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