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Merck
CN

614130

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

≥98 atom % D, ≥98% (CP)

Synonym(s):

7-Deoxycholic acid,-2,2,4,4-d4, Desoxycholic acid-2,2,4,4-d4, 3a,12a-Dihydroxy-5β-cholanic 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
UNSPSC Code:
51113400
PubChem Substance ID:
329759483
MDL number:
MFCD00209707
Isotopic purity:
≥98 atom % D
Assay:
≥98% (CP)
Mass shift:
M+4
Form:
solid

Key Documents

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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

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 key

KXGVEGMKQFWNSR-FCSCGBJGSA-N

isotopic purity

≥98 atom % D

assay

≥98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

171-174 °C

mass shift

M+4

Related Categories

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

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

target_organs

Respiratory system

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

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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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