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589349

Sigma-Aldrich

Lithocholic acid-2,2,4,4-d4

98 atom % D

Synonym(s):

(3a,5ß)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid

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About This Item

Empirical Formula (Hill Notation):
C24D4H36O3
CAS Number:
83701-16-0
Molecular Weight:
380.60
MDL number:
MFCD00190473
UNSPSC Code:
12352106
PubChem Substance ID:
24881239
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

Assay

99% (CP)

mp

184-186 °C (lit.)

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])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O

InChI

1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2

InChI key

SMEROWZSTRWXGI-POXZWENPSA-N

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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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD7570
MBBD1480
MBBC5557
MBBC2558
MBBB7117V

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Sigma-Aldrich

G0759

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Aihua Zhao et al.
Scientific reports, 10(1), 11601-11601 (2020-07-16)
Bile acids (BAs) play essential roles in facilitating lipid digestion and absorption in the intestine. Gastric BAs were attributed to abnormal refluxing from duodenal compartments and correlated with the occurrence of gastric inflammation and carcinogenesis. However, the differences in gastric
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.

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