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614149

Sigma-Aldrich

Cholic acid-2,2,4,4-d4

98 atom % D, 98% (CP)

Synonym(s):

3α,7α,12α-Trihydroxy-5β-cholanic acid-D4

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About This Item

Empirical Formula (Hill Notation):
C24D4H36O5
CAS Number:
116380-66-6
Molecular Weight:
412.60
MDL number:
MFCD00209701
UNSPSC Code:
12352106
PubChem Substance ID:
24882140
NACRES:
NA.12

isotopic purity

98 atom % D

Assay

98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

200-201 °C (lit.)

mass shift

M+4

SMILES string

[2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[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

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-YFEOEUIKSA-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 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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