Lithocholic acid

Catalog NumberBL-M000474
CAS Number434-13-9
DescriptionLithocholic acid is a toxic secondary bile acid, causes intrahepatic cholestasis, has tumor-promoting activity, its toxic effect can be protected after it activates the vitamin D receptor, PXR and FXR.
IUPAC Name(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SynonymsLithocholate; 3alpha-Hydroxy-5beta-cholan-24-oic acid; 3alpha-Hydroxycholanic acid; 5beta-Cholanic acid-3alpha-ol
Molecular Weight376.58
Molecular FormulaC24H40O3
Boiling Point511ºC at 760mmHg
Melting Point181-184°C
Flash Point276.9ºC
Purity>98%
Density1.073 g/cm³
Solubilityless than 1 mg/mL at 67.5 °F
AppearanceWhite Solid
ApplicationDetergents
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 76.55%, H 10.71%, O 12.75%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChIInChI=1S/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChI KeySMEROWZSTRWXGI-HVATVPOCSA-N

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