3beta,5alpha,6beta-trihydroxycholanoic acid

Catalog NumberBL-M000525
CAS Number16030-92-5
Description3beta,5alpha,6beta-trihydroxycholanoic acid is a bile acid derivative used in the treatment of liver diseases and gallstones. It helps to dissolve cholesterol gallstones and improve liver function by increasing bile flow.
IUPAC Name(4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
SynonymsTrihydroxy Cholic Acid - 3β,5α,6β-trihydroxycholanoic acid
Molecular Weight408.58
Molecular FormulaC24H40O5
Boiling Point560.2±40.0 °C at 760 mmHg
Purity>99%
Density1.2±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 70.55%, H 9.87%, O 19.58%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C
InChIInChI=1S/C24H40O5/c1-14(4-7-21(27)28)17-5-6-18-16-12-20(26)24(29)13-15(25)8-11-23(24,3)19(16)9-10-22(17,18)2/h14-20,25-26,29H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,22-,23-,24+/m1/s1
InChI KeyNMKAZCXSXYNCFW-DWQVTILUSA-N

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