Products 1323443-06-6
CAS 1323443-06-6 is the registry number for Chlorogenic acid-13C6. Offered by: Biosynth. Available pack sizes: 1mg.
(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 (CAS 1323443-06-6) is a chemical compound with the molecular formula C16H18O9 and a molecular weight of 360.26 g/mol. 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. InChIKey: CWVRJTMFETXNAD-WKFUDWLESA-N.
| Molecular formula | C16H18O9 |
|---|---|
| Molecular weight | 360.26 g/mol |
| 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 |
| InChIKey | CWVRJTMFETXNAD-WKFUDWLESA-N |
| SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/[13C]2=[13CH][13C](=[13C]([13CH]=[13CH]2)O)O)O)O |
Computed by PubChem (NCBI)