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605883

Sigma-Aldrich

Cholic acid-24-13C

99 atom % 13C, 98% (CP)

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About This Item

Empirical Formula (Hill Notation):
13CC23H40O5
CAS Number:
52886-36-9
Molecular Weight:
409.56
MDL number:
MFCD00190289
UNSPSC Code:
51113400
PubChem Substance ID:
329759090

isotopic purity

99 atom % 13C

Assay

98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

200-201 °C (lit.)

mass shift

M+1

SMILES string

O[C@@H]1CC[C@@]2(C)[C@@](C[C@@H](O)[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CC[13C](O)=O)([H])C1

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/i21+1

InChI key

BHQCQFFYRZLCQQ-HFINQHRVSA-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

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC8551
MBBC2201
MBBC1702
IY1585
IY1072

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