Product Code
TRC-C432603
CAS Number
Product Format
Neat
Molecular Formula
C24 D4 H36 O5
Molecular Weight
412.596
API Family
Cholic AcidProduct Categories
TRC, Bile acids, Stable isotopes, Stable Isotope Labelled Analytical Standards
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Purity
>95% (HPLC)
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Analyte Name
Cholic Acid-d4
CAS Number
116380-66-6
Molecular Formula
C24 D4 H36 O5
Molecular Weight
412.596
Accurate Mass
412.313
SMILES
[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
IUPAC
(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
Unlabelled CAS Number
81-25-4
SIL Type
Deuterium
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
API Family
Purity
>95% (HPLC)
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