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Home/Compounds/Research Reagent/(3α,5β,12α)-3,12-Dihydroxy(2,2,4,4-²H₄)cholan-24-oic acid
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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Related Compounds

SimilarStructure SimilarSimilarity 0.82

Glycodeoxycholic-2,2,4,4-d4 acid

CAS1069132-37-1

research compound

SimilarStructure SimilarSimilarity 0.76

(3α,5β)-3-Hydroxy(2,2,4,4-²H₄)cholan-24-oic acid

CAS83701-16-0

research compound

SimilarStructure SimilarSimilarity 0.75

Cholic acid-2,2,4,4-d4

CAS116380-66-6

research compound

ReferenceSame Category

2-methylpyridin-3-ol

CAS1121-25-1

research compound

ReferenceSame Category

Dicyclopropyl ketone

CAS1121-37-5

research compound

ReferenceSame Category

2-formylpyridine

CAS1121-60-4

research compound

ReferenceSame Category

2-methyl-5-hydroxypyridine

CAS1121-78-4

research compound

Referencestereoisomer of

Sodium desoxycholate

CAS302-95-4

pharmaceutical raw material

Safety Reference

Harmful
Harmful
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

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