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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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