β-Muricholic acid

Catalog NumberBL-M000460
CAS Number2393-59-1
Descriptionβ-Muricholic acid is a murine-specific primary bile acid. Dietary administration of β-MCA reduces HMG-CoA reductase activity in liver microsomes from mice fed a high cholesterol and cholic acid diet. Dietary administration of β-MCA also dissolves 100% of gallstones in a gallstone-susceptible mouse model of diet-induced cholesterol gallstones.
IUPAC Name(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Synonyms5β-cholanic acid-3α,6β,7β-triol; 3α,6β,7β-Trihydroxy-5β-cholan-24-oic Acid; 3α,6β,7β-Trihydroxy-5β-cholanic Acid; (3α,5β,6β,7β)-3,6,7-Trihydroxycholan-24-oic Acid; beta-muricholic acid; β-MCA
Molecular Weight408.57
Molecular FormulaC24H40O5
Boiling Point565.7±40.0°C (Predicted)
Melting Point226°C
Purity>99%
Density1.184±0.06 g/cm3 (Predicted)
SolubilitySoluble in DMSO (Slightly), Ethanol (Slightly,Sonicated), Methanol (Slightly), Water (Slightly)
AppearanceWhite to Off-white Solid
Shelf Life1 Year
StorageStore at 2-8°C
Percent CompositionC 70.55%, H 9.87%, O 19.58%
Canonical SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
InChIInChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1
InChI KeyDKPMWHFRUGMUKF-CRKPLTDNSA-N

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