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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Bisphenol A mono-β-D-glucuronide-[13C12]

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General Information
Catalog: BLP-000086
CAS: 1313730-08-3
Molecular Formula: C9[13C]12H24O8
Molecular Weight: 416.32
Chemical Structure
Bisphenol A mono-β-D-glucuronide-[13C12]
Description Applications: Isotope labelled Bisphenol A β-D-Glucuronide is the glucuronide conjugate and metabolite of bisphenol A (B519495), an monomer used for policarbonate and epoxy resins.
Synonyms Bisphenol A-(rings-13C12) mono-β-D-glucuronide; Bisphenol A mono-β-D-glucuronide-(rings-13C12)
IUPAC Name (3R,6S)-3,4,5-trihydroxy-6-(4-(2-(4-hydroxyphenyl-1,2,3,4,5,6-13C6)propan-2-yl)phenoxy-1,2,3,4,5,6-13C6)tetrahydro-2H-pyran-2-carboxylic acid
Related CAS 267244-08-6 (unlabelled)
Canonical SMILES CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
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
InChI Key KHZOXXYQSBJDHB-CJVPVOHPSA-N
Melting Point >96°C (dec.)
Purity 95% (CP); 99% atom 13C
Solubility Soluble in DMSO, Methanol
Appearance Off-white to Grey Solid
Storage Store at -20°C
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