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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Deoxycholic acid-[2,2,4,4-d4]

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General Information
Catalog: BLP-011094
CAS: 112076-61-6
Molecular Formula: C24H36D4O4
Molecular Weight: 396.60
Chemical Structure
Deoxycholic acid-[2,2,4,4-d4]
Description Deoxycholic acid-2,2,4,4-d4 is a deuterated compound and a deoxycholic acid.
Synonyms 7-Deoxycholic acid,-2,2,4,4-d4; 3a,12a-Dihydroxy-5β-cholanic acid-2,2,4,4-d4; Desoxycholic acid-2,2,4,4-d4
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
Related CAS 30635-00-8 (unlabelled)
Isomeric 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]
Canonical SMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChI InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2
InChI Key KXGVEGMKQFWNSR-FCSCGBJGSA-N
Melting Point 171-174°C
Purity 98% by CP; 98% atom D
Shelf Life 1 Year
Storage -20°C
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