Chemical Compound

Isochlorogenic acid A

CAS Registry Number 2450-53-5
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Isochlorogenic acid A chemical structure
Primary Record

Isochlorogenic acid A

In stock
3,757 g
Purity
98.4 %
CAS
2450-53-5

Compound Identifiers & Properties

CAS
2450-53-5
PubChem CID
134692029
SMILES
C[C@]1(C[C@](C[C@H]([C@@H]1O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(C(=O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
Canonical SMILES
C[C@@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O

Names & Synonyms

  • Isochlorogenic acid A
  • C26H26O12
  • MFCD00951290
  • (1R,3R,4S,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-3-methyl-cyclohexanecarboxylic acid
  • (1R,3R,4S,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxy-3-methylcyclohexane-1-carboxylic acid
  • 2450-53-5