3-oxo chenodeoxycholic acid

Catalog NumberBL-M000486
CAS Number4185-00-6
Description3-oxo chenodeoxycholic acid, a compound classified as a bile acid derivative, exhibits therapeutic efficacy in addressing gallstones, cholestasis, and various liver pathologies. Furthermore, ongoing research explores its promising role in mitigating metabolic irregularities and optimizing lipid homeostasis.
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IUPAC Name(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid; 3-Keto-CDCA; 3-dehydrochenodeoxycholic acid; (5beta,7alpha)-7-hydroxy-3-oxocholan-24-oic acid
Molecular Weight390.56
Molecular FormulaC24H38O4
Boiling Point545.9±25.0 °C at 760 mmHg
Melting Point111-114°C
Purity>99%
Density1.124±0.06 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 73.81%, H 9.81%, O 16.39%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C
InChIInChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChI KeyKNVADAPHVNKTEP-CIGXQKLNSA-N

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