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Merck
CN

738409

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
UNSPSC Code:
12352005
PubChem Substance ID:
MDL number:
Isotopic purity:
99 atom % 13C
Assay:
95% (CP)
Mass shift:
M+12
Form:
solid


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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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