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Home/Compounds/Research Reagent/(3α,5β)-3-Hydroxy(2,2,4,4-²H₄)cholan-24-oic acid
C24H40O3
380.6 g/mol
Research Reagent

(3alpha,5beta)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid

CAS83701-16-0
Category
Research Reagent
Compound Class
Steroid
Primary Use
Research Compound

Lithocholic acid-2,2,4,4-d4 is a deuterated form of lithocholic acid, used as a stable isotope labeled internal standard. It carries four deuterium atoms at specific positions in the steroid backbone, making it valuable for quantitative analysis in research settings.

stable isotope labeled internal standard for mass spectrometryresearch reagent for quantitative analysis of bile acids

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Identifiers
IUPAC Name

(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

InChIKey

SMEROWZSTRWXGI-POXZWENPSA-N

SMILES

[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H]

Synonyms (10)
  • Lithocholic Acid-d4
  • Lithocholic acid-2,2,4,4-d4
  • Lithocholic-2,2,4,4-d4 acid