β-MCA-d4

• CAT Number: I038803
• Molecular Formula: C24H36D4O5
• Molecular Weight: 412.6034
• Purity: 98%
• Synonyms: β-MCA-d4; βMCAd4; β MCA d4; β-Muricholic Acid-d4; 5β-Cholanic Acid-3α,6β,7β-triol-d4
• Solubility: To be determined
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• 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
• 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

β-MCA-d4 (β-Muricholic Acid-d4) is a deuterated form of β-Muricholic Acid, featuring four deuterium atoms. This high-purity isotopically labeled compound is vital for research in bile acid metabolism, liver function studies, and gastrointestinal research. It is commonly used in mass spectrometry and other analytical techniques to investigate the metabolic pathways, absorption, and excretion of bile acids in biological systems. The deuterium labeling provides enhanced accuracy and sensitivity in quantitative analysis, making β-MCA-d4 an essential tool for researchers studying bile acid biology, liver diseases, and the therapeutic potential of bile acid derivatives in various medical conditions.

Reference

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