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738409

Sigma-Aldrich

Bisphenol A-(rings-13C12) mono-β-D-glucuronide

99 atom % 13C, 95% (CP)

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About This Item

Empirical Formula (Hill Notation):
13C12C9H24O8
Molecular Weight:
416.32
MDL number:
MFCD19105633
UNSPSC Code:
12352005
PubChem Substance ID:
329765275

isotopic purity

99 atom % 13C

Assay

95% (CP)

form

solid

mass shift

M+12

storage temp.

−20°C

SMILES string

CC(C)([13c]1[13cH][13cH][13c](O)[13cH][13cH]1)[13c]2[13cH][13cH][13c](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[13cH][13cH]2

InChI

1S/C21H24O8/c1-21(2,11-3-7-13(22)8-4-11)12-5-9-14(10-6-12)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-10,15-18,20,22-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1/i3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1

InChI key

KHZOXXYQSBJDHB-CJVPVOHPSA-N

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