3beta,7beta-dihydroxy-5-cholestenoic acid

Catalog NumberBL-M001323
CAS Number1246298-66-7
Description3beta,7beta-dihydroxy-5-cholestenoic acid, a bile acid derivative renowned for its therapeutic effects on liver diseases and cholestatic liver conditions. Serving as both a crucial signaling molecule and a key regulator of lipid metabolism within the human body, its multifaceted properties hold promise for addressing a spectrum of hepatic ailments.
IUPAC Name(2R,6R)-6-[(3S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Synonyms(25R)-cholest-5-en-26-oic acid, 3beta,7beta-hydroxy
Molecular Weight432.64
Molecular FormulaC27H44O4
Boiling Point588.1±35.0 °C at 760 mmHg
Purity>99%
Density1.1±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 74.96%, H 10.25%, O 14.79%
Canonical SMILESCC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17-,19+,20-,21+,22+,23+,24+,26+,27-/m1/s1
InChI KeyGYJSAWZGYQXRBS-WMYDBBFWSA-N

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