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

CAS No. CAS No.: 116380-66-6
Cat No. Cat No.: BPG-3136
Purity Purity: 98% by CP; 98% atom D
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Cholic acid-[2,2,4,4-d4] is the labelled analogue of Cholesteryl oleate. Cholesteryl oleate is an esterified form of cholesterol found in plasma.

Category Standards
Molecular Formula C24H36D4O5
Molecular Weight 412.60
Appearance Off-white to Pale Beige Solid
Storage -20°C
Cholic acid-[2,2,4,4-d4]

Structure of 116380-66-6

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  • Specification
  • Application
Synonyms 3α,7α,12α-Trihydroxy-5β-cholanic acid-D4; Cholic acid-2,2,4,4-d4
IUPACName (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CanonicalSMILES [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2
InChIKey BHQCQFFYRZLCQQ-YFEOEUIKSA-N
MeltingPoint 200-201°C (lit.)
Purity 98% by CP; 98% atom D
Solubility Soluble in DMSO, Ethanol, Methanol
RelatedCAS 81-25-4 (unlabelled)
ShelfLife 1 Year
ExactMass 412.31
Hygroscopic No
LightSensitive No
PercentComposition C 69.86%, H 10.75%, O 19.39%

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