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685119

Sigma-Aldrich

Deoxycholic acid-24-13C

99 atom % 13C, 98% (CP)

Synonym(s):

3a,12a-Dihydroxy-5ß-cholanic acid-24-13C, 7-Deoxycholic acid-24-13C, Desoxycholic acid-24-13C

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About This Item

Empirical Formula (Hill Notation):
13CC23H40O4
CAS Number:
52886-37-0
Molecular Weight:
393.56
MDL number:
MFCD00190301
UNSPSC Code:
51113400
PubChem Substance ID:
329760943

isotopic purity

99 atom % 13C

Assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

171-174 °C

mass shift

M+1

SMILES string

C[C@H](CC[13C](O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i22+1

InChI key

KXGVEGMKQFWNSR-JJUQXLBJSA-N

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