β-MCA-d4

β-Muricholic acid-d4 (β-MCA-d4) is intended for use as an internal standard for the quantification of β-muricholic acid by GC- or LC-MS. β-MCA 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.

Catalog Number: I038803

Molecular Formula: C24H36D4O5

Molecular Weight:412.6034

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

Synonymsβ-MCA-d4; βMCAd4; β MCA d4; β-Muricholic Acid-d4; 5β-Cholanic Acid-3α,6β,7β-triol-d4;

Property

Molecular Formula: C24H36D4O5
Molecular Weight412.6034
SolubilityTo be determined
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name(R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,4-d4)pentanoic acid
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/i8D2,12D2
InChIKeyDKPMWHFRUGMUKF-APBBRSFGSA-N
SMILESOC(CC[C@H]([C@]1(CC[C@]2([C@@]3([C@H]([C@H]([C@@]4(C([2H])([C@@H](C([2H])(C[C@@]4([C@]3(CC[C@@]21C)[H])C)[2H])O)[2H])[H])O)O)[H])[H])[H])C)=O