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
460891
SMILES
C1[C@H](C([C@@H](CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1O

Names & Synonyms

  • Isochlorogenic acid A
  • 3,5-Dicaffeoylquinic acid
  • SCHEMBL18318642
  • KS-00000023
  • 2450-53-5
  • (1R,3R,4R,5R)-3,5-BIS({[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY})-1,4-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
  • (1S,3R,4S,5R)-3,5-bis((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4-dihydroxycyclohexane-1-carboxylic acid
  • (3R,5R)-3,5-BIS({[(2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOYL]OXY})-1,4-DIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
  • 89919-62-0