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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.

Chlorogenic Acid-[13C6]

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General Information
Catalog: BLP-002224
CAS: 1323443-06-6
Molecular Formula: C10[13C]6H18O9
Molecular Weight: 360.26
Chemical Structure
Chlorogenic Acid-[13C6]
Description Chlorogenic Acid-[13C6], is the labelled analogue of Chlorogenic Acid. Chlorogenic acid exhibits an anti-inflammatory effect, and reduce blood pressure.
Synonyms (1S,3R,4R,5R)-3-[[3-[3,4-Dihydroxy(phenyl-13C6)]-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic Acid; 3-(3,4-Dihydroxycinnamoyl)quinic Acid-13C6; 3-Caffeoylquinic Acid-13C6; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic Acid-13C6; Chlorogenic Acid-13C6; [U-Ring-13C6]-Chlorogenic acid
IUPAC Name (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Related CAS 327-97-9 (unlabelled)
Canonical SMILES C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1/i1+1,3+1,5+1,8+1,9+1,10+1
InChI Key CWVRJTMFETXNAD-WKFUDWLESA-N
Purity > 98%
Solubility Soluble in Chloroform, Dichloromethane, DMSO
Appearance Powder
Storage Store at 2-8°C
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