3beta,25-OH-7-oxo-5-cholestenoic acid

Catalog NumberBL-M001328
CAS Number1036844-01-5
Description3beta,25-OH-7-oxo-5-cholestenoic acid is utilized in therapeutic interventions targeting pathologies associated with aberrant bile acid metabolism, including bile acid synthesis deficiencies and cholestatic hepatic disorders. Serving as a pivotal intermediate during cholesterol conversion to bile acids, it exerts regulatory control over hepatic bile acid synthesis mechanisms.
IUPAC Name(3S,7S,10R,13R,17R)-17-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Synonyms3beta,25-dihydroxy-7-oxo-5-cholestenoic acid
Molecular Weight434.65
Molecular FormulaC27H46O4
Boiling Point595.1±40.0 °C at 760 mmHg
Purity>99%
Density1.1±0.1 g/cm3
AppearancePowder
Shelf Life1 Year
StorageStore at -20°C
Canonical SMILESCC(CCCC(C)(CO)O)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C27H46O4/c1-17(6-5-11-25(2,31)16-28)20-7-8-21-24-22(10-13-27(20,21)4)26(3)12-9-19(29)14-18(26)15-23(24)30/h15,17,19-24,28-31H,5-14,16H2,1-4H3/t17-,19+,20-,21?,22?,23-,24?,25?,26+,27-/m1/s1
InChI KeyJGEBMCVWDISKRI-MRAVHIDRSA-N

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