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Merck
CN

614122

Chenodeoxycholic acid-2,2,4,4-d4

98 atom % D, 98% (CP)

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About This Item

Empirical Formula (Hill Notation):
C24D4H36O4
Molecular Weight:
396.60
NACRES:
NA.12
PubChem Substance ID:
24882139
UNSPSC Code:
12352106
MDL number:
MFCD00190400

Key Documents

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Product Name

Chenodeoxycholic acid-2,2,4,4-d4, 98 atom % D, 98% (CP)

InChI

1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2

SMILES string

[2H]C1([2H])C[C@]2(C)[C@H]3CC[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 key

RUDATBOHQWOJDD-PSTGXAJBSA-N

isotopic purity

98 atom % D

assay

98% (CP)

technique(s)

mass spectrometry (MS): suitable

mp

165-167 °C (lit.)

mass shift

M+4

Quality Level

200

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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.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBC3282
EW1861
EW0907
EW0489
ST0250

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Bin Zan et al.
Biomedical chromatography : BMC, 34(7), e4835-e4835 (2020-03-22)
Bear bile is a valuable medicinal material used in traditional Chinese medicine for over 2000 years. However, developing a substitute has become necessary because of protection measures for this endangered species. The ingredients of in vitro cultured bear bile powder (CBBP)
Sidhartha R Sinha et al.
Cell host & microbe, 27(4), 659-670 (2020-02-27)
Secondary bile acids (SBAs) are derived from primary bile acids (PBAs) in a process reliant on biosynthetic capabilities possessed by few microbes. To evaluate the role of BAs in intestinal inflammation, we performed metabolomic, microbiome, metagenomic, and transcriptomic profiling of
Susan A Joyce et al.
Proceedings of the National Academy of Sciences of the United States of America, 111(20), 7421-7426 (2014-05-07)
Alterations in the gastrointestinal microbiota have been implicated in obesity in mice and humans, but the key microbial functions influencing host energy metabolism and adiposity remain to be determined. Despite an increased understanding of the genetic content of the gastrointestinal

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