Chlorogenic acid-13C6

cas: 1323443-06-6 — see every product listed under this CAS number, including other names

Chlorogenic acid-13C6 (CAS 1323443-06-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Biosynth.

brandBiosynth
catalog numberYCC44306-1mg
cas1323443-06-6
size1mg
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Available pack sizes

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properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

(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.

Identity
Molecular formulaC16H18O9
Molecular weight360.26 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
InChIKeyCWVRJTMFETXNAD-WKFUDWLESA-N
SMILESC1[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)