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614130

Sigma-Aldrich

Deoxycholic acid-2,2,4,4-d4

≥98 atom % D, ≥98% (CP)

Synonym(s):

3a,12a-Dihydroxy-5ß-cholanic acid-2,2,4,4-d4, 7-Deoxycholic acid,-2,2,4,4-d4, Desoxycholic acid-2,2,4,4-d4

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About This Item

Empirical Formula (Hill Notation):
C24D4H36O4
CAS Number:
112076-61-6
Molecular Weight:
396.60
MDL number:
MFCD00209707
UNSPSC Code:
51113400
PubChem Substance ID:
329759483

isotopic purity

≥98 atom % D

assay

≥98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

171-174 °C

mass shift

M+4

SMILES string

[H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O

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

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC3483
MBBC1776
CC0498
TA1908V
IY1411

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P Franco et al.
Journal of chromatography. A, 1585, 70-81 (2018-11-30)
Bile acids (BAs) are endogenous steroids involved in the transport of lipids in bile, acting also as molecular signaling hormones. Primary BAs synthesized in the liver undergo several metabolic pathways in the intestine by gut microbiota to produce secondary BAs.
Tannaz Ghaffarzadegan et al.
Scientific reports, 9(1), 3800-3800 (2019-03-09)
Bile acids (BAs) are known to be involved in cholesterol metabolism but interactions between the diet, BA profiles, gut microbiota and lipid metabolism have not been extensively explored. In the present study, primary and secondary BAs including their glycine and
Limin Zhang et al.
Environmental health perspectives, 123(7), 679-688 (2015-03-15)
Alteration of the gut microbiota through diet and environmental contaminants may disturb physiological homeostasis, leading to various diseases including obesity and type 2 diabetes. Because most exposure to environmentally persistent organic pollutants (POPs) occurs through the diet, the host gastrointestinal

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