Chlorogenic acid Impurity 4

cas: 1629852-63-6 — see every product listed under this CAS number, including other names

Chlorogenic acid Impurity 4 (CAS 1629852-63-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C065304
cas1629852-63-6
sizeon request
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Structural formula: {0} (CAS {1})

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-[3-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid (CAS 1629852-63-6) is a chemical compound with the molecular formula C22H28O14 and a molecular weight of 516.4 g/mol. IUPAC name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-[3-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid. InChIKey: ABXYVNGLNANCOI-NSGBDHDDSA-N.

Identity
Molecular formulaC22H28O14
Molecular weight516.4 g/mol
IUPAC name(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-[3-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid
InChIKeyABXYVNGLNANCOI-NSGBDHDDSA-N
SMILESC1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 5-O-(3'-O-Glucosylcaffeoyl)quinic acid, Chlorogenic Acid Impurity 4, orb1984722

Also listed as

Cyclohexanecarboxylic acid, 3-[[(2E)-3-[4-(D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-(Standard Reference Material), ≥98%, ≥98% Chemat CAS 1629852-63-6
5-O-(3'-O-Glucosylcaffeoyl)quinic acid MedChemExpress CAS 1629852-63-6