Bisphenol A-13C12 Beta-D-Glucuronide
Product Code
TRC-B519513
CAS Number
Product Format
Neat
Molecular Formula
13C12 C9 H24 O8
Molecular Weight
416.32
API Family
Bisphenol AProduct Categories
TRC, Drug derivatives & metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards
Unlabelled CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Bisphenol A-13C12 beta-D-Glucuronide
CAS Number
1313730-08-3
Molecular Formula
13C12 C9 H24 O8
Molecular Weight
416.32
Accurate Mass
416.1874
SMILES
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
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
IUPAC
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-hydroxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)propan-2-yl](1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl]oxyoxane-2-carboxylic acid
Unlabelled CAS Number
267244-08-6
SIL Type
Carbon
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
API Family
Purity
>95% (HPLC)
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