Dehydrolithocholic acid

Catalog NumberBL-M000473
CAS Number1553-56-6
DescriptionDehydrolithocholic acid, a crucial bile acid derivative, is employed for managing liver ailments such as cholestasis and gallstones. Its capacity to enhance bile secretion and facilitate cholesterol metabolism positions it as a pivotal therapeutic intervention for conditions pertaining to the hepatobiliary system.
IUPAC Name(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-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
Synonyms5beta-cholanic acid-3-one; 3-Ketolithocholic acid; 3-Oxocholanic acid; 3-Oxolithocholic acid
Molecular Weight374.56
Molecular FormulaC24H38 O3
Boiling Point509.3±23.0 °C(Predicted)
Melting Point509.3°C
Purity>99%
Density1.069 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 76.96%, H 10.23%, O 12.81%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
InChIInChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
InChI KeyKIQFUORWRVZTHT-OPTMKGCMSA-N

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