Products 1629852-63-6

CAS 1629852-63-6 appears in our catalog under these names: Chlorogenic acid Impurity 4, 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%, 5-O-(3'-O-Glucosylcaffeoyl)quinic acid. Offered by: Chemat Brand, Chemat, MedChemExpress. Available pack sizes: on request, 5mg, 5 mg, 10 mg, 1 mg.

Chlorogenic acid Impurity 4
Chemat Brand
  • size: on request
  • Variants: 1
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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
  • size: 5mg
  • Variants: 1
from 1542.80
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5-O-(3'-O-Glucosylcaffeoyl)quinic acid
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 589.04
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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