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
Synonyms | β-MCA-d4; βMCAd4; β MCA d4; β-Muricholic Acid-d4; 5β-Cholanic Acid-3α,6β,7β-triol-d4; |
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Property
Molecular Formula: | C24H36D4O5 |
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Molecular Weight | 412.6034 |
Solubility | To be determined |
Purity | 98.0% |
Storage | Dry, 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 |
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InChI | InChI=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 |
InChIKey | DKPMWHFRUGMUKF-APBBRSFGSA-N |
SMILES | OC(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 |