7alpha-hydroxy-3-oxo-4-cholestenoic acid

Catalog NumberBL-M001322
CAS Number1246298-65-6
Description7alpha-hydroxy-3-oxo-4-cholestenoic acid, a vital bile acid pivotal for cholesterol metabolic pathways, exhibits therapeutic utility in specific hepatic conditions linked to bile acid biosynthesis aberrations. This compound holds promise for potential applications in managing liver dysfunctions entwined with aberrant bile acid levels.
IUPAC Name(2R,6R)-6-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Synonyms(25R)-cholest-4-en-26-oic acid, 7alpha-hydroxy-3-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(CC4=CC(=O)CCC34C)O)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/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChI KeySATGKQGFUDXGAX-SLTBQWEQSA-N

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