3β-OH-7-Oxocholenic Acid

Catalog NumberBL-M000522
CAS Number25218-38-6
Description3β-OH-7-Oxocholenic acid is a bile acid and a metabolite of 7β-hydroxy cholesterol in rats.
IUPAC Name(4R)-4-[(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]pentanoic acid
Synonyms3β-hydroxy-7-oxo-5-Cholenoic Acid; 3β-hydroxy-7-Oxochol-5-enoic Acid
Molecular Weight388.54
Molecular FormulaC24H36O4
Purity>99%
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 74.19%, H 9.34%, O 16.47%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C
InChIInChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h13-14,16-19,22,25H,4-12H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,22+,23+,24-/m1/s1
InChI KeyJHFXTNJNQOZGEJ-HICUSVRDSA-N

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