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617024

Sigma-Aldrich

Chenodeoxycholic-2,2,3,4,4-d5 acid

98 atom % D

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About This Item

Empirical Formula (Hill Notation):
C24D5H35O4
Molecular Weight:
397.60
MDL number:
MFCD08702893
UNSPSC Code:
51113400
PubChem Substance ID:
329759651

isotopic purity

98 atom % D

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

165-167 °C (lit.)

mass shift

M+5

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@]1([2H])O)[C@H](C)CCC(O)=O

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/i8D2,12D2,16D

InChI key

RUDATBOHQWOJDD-FVAYXOGXSA-N

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