C24H40O4
396.6 g/mol
Research ReagentWarning
Deoxycholic-2,2,4,4-D4 acid
CAS112076-61-6
Category
Research Reagent
Compound Class
Steroid
Primary Use
Research Compound
Deoxycholic-2,2,4,4-D4 acid is a deuterated analytical reference standard and a derivative of deoxycholic acid. It is primarily used in research settings as an internal standard for quantitative analysis and method development.
Deuterated analytical reference standardInternal standard for mass spectrometry
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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CAS 112076-61-6
Related Compounds
SimilarStructure SimilarSimilarity 0.82
Glycodeoxycholic-2,2,4,4-d4 acid
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ReferenceSame Category
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Referencestereoisomer of
Sodium desoxycholate
CAS302-95-4
pharmaceutical raw material
Safety Reference
Warning
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
Identifiers
IUPAC Name
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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
KXGVEGMKQFWNSR-FCSCGBJGSA-N
SMILES
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H]
Synonyms (9)
- Deoxycholic Acid-d4
- Deoxycholic acid-2,2,4,4-d4
- Deoxycholic-2,2,4,4-D4 acid