3β,7α,24S-Trihydroxy-5-cholestenoic acid

Catalog NumberBL-M001326
CAS Number2260669-22-3
Description3β,7α,24S-Trihydroxy-5-cholestenoic acid, a compound of interest in studies on bile acid metabolism and liver pathophysiology, notably in conditions like cholestasis. Promising therapeutic prospects have been indicated pertaining to liver disorders through the modulation of bile acid homeostasis, reflecting its potential in targeted medical interventions and therapeutic advancements.
IUPAC Name(2R,3S,6R)-6-[(3S,7S,10R,13R,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]-3-hydroxy-2-methylheptanoic acid
Synonyms(25R)-cholest-5-en-26-oic acid, 3β,7α,24S-trihydroxy-; 3beta,7alpha,24S-trihydroxy-5-cholestenoic acid
Molecular Weight448.64
Molecular FormulaC27H44O5
Purity>99%
SolubilitySoluble in Chloroform, Methanol, Water
AppearanceWhite Solid
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 72.28%, H 9.89%, O 17.83%
Canonical SMILESCC(CCC(C(C)C(=O)O)O)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C
InChIInChI=1S/C27H44O5/c1-15(5-8-22(29)16(2)25(31)32)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(28)13-17(26)14-23(24)30/h14-16,18-24,28-30H,5-13H2,1-4H3,(H,31,32)/t15-,16-,18+,19-,20?,21?,22+,23-,24?,26+,27-/m1/s1
InChI KeyGQVVAINZOBDUHK-ANPBTDCTSA-N

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