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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

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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
TA0627V

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