An internal standard for the quantification of 3β-cholic acid
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Isomer(s)
27037ω-Muricholic Acid-d4
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3β-Cholic Acid-d4

Item No. 27376

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
(5β)-3β,7α,12α-trihydroxy-cholan-24-oic-2,2,4,4-d4 acid
Synonyms
  • 3β-Epicholic Acid-d4
Molecular Formula
C24H36D4O5
Formula Weight
412.6
Purity
≥99% deuterated forms (d1-d4)
Formulation (Request formulation change)
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 30 mg/mlDMF:PBS(pH 7.2)(1:1): 0.5 mg/mlDMSO: 30 mg/mlEthanol: 20 mg/ml
SMILES
O[C@H]1C([2H])([2H])C[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(O)=O)([H])C1([2H])[2H]
InChi Code
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
InChi Key
BHQCQFFYRZLCQQ-OYZBQODYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    500 µg

    $107

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    1 mg

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    5 mg

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    10 mg

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    Cayman Chemical
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    OBESITY RESEARCH SOLUTIONS
    Product Description

    3β-Cholic acid-d4 is intended for use as an internal standard for the quantification of 3β-cholic acid (Item No. 36447) by GC- or LC-MS. 3β-Cholic acid is a bile acid and an isomer of cholic acid (Item No. 20250).1 It has been found in human cecum and in postprandial urine samples from patients with non-alcoholic steatohepatitis (NASH).1,2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Hamilton, J.P., Xie, G., Raufman, J.P., et al. Human cecal bile acids: Concentration and spectrum. Am. J. Physiol. Gastrointest. Liver Physiol. 293(1), G256-263 (2007).

    2. Lan, K., Su, M., Xie, G., et al. Key role for the 12-hydroxy group in the negative ion fragmentation of unconjugated C24 bile acids. Anal. Chem. 88(14), 7041-7048 (2016).