3beta-hydroxy-7-oxo-5-cholestenoic acid

Catalog NumberBL-M001321
CAS Number1246298-64-5
Description3beta-hydroxy-7-oxo-5-cholestenoic acid, an intriguing derivative extracted from bile acids, is widely investigated for its promising therapeutic potentials in addressing liver afflictions such as cholestasis and nonalcoholic fatty liver disease. Its biochemical properties suggest a novel avenue for groundbreaking research and clinical interventions in hepatology.
IUPAC Name(2R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Synonyms(25R)-cholest-5-en-26-oic acid, 3beta-hydroxy-7-oxo
Molecular Weight430.62
Molecular FormulaC27H42O4
Boiling Point590.5±33.0 °C at 760 mmHg
Purity>99%
Density1.1±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 75.31%, H 9.83%, O 14.86%
Canonical SMILESCC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C
InChIInChI=1S/C27H42O4/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/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)/t16-,17-,19+,20-,21+,22+,24+,26+,27-/m1/s1
InChI KeyQOEPZHFZXUROGV-BXDHRDAUSA-N

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