6,7-diketolithocholic acid

Catalog NumberBL-M000480
CAS Number1643669-23-1
Description6,7-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
Synonyms5beta-cholanic acid-3alpha-ol-6,7-dione; 6,7-Diketo-LCA
Molecular Weight404.55
Molecular FormulaC24H36O5
Boiling Point567.0±25.0 °C at 760 mmHg
Purity>99%
Density1.2±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 71.26%, H 8.97%, O 19.77%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)C(=O)C4C3(CCC(C4)O)C)C
InChIInChI=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 KeyFRIRHJVKXFYECW-ZTERCDMUSA-N

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