3,5-Dicaffeoylquinic acid

For research use only. Not for therapeutic Use.

  • CAT Number: R072360
  • CAS Number: 89919-62-0
  • PubChem Substance ID: 6474310
  • Molecular Formula: C25H24O12
  • Molecular Weight: 516.455
  • Purity: ≥95%
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Catalog Number R072360
CAS Number 89919-62-0
Molecular Formula C25H24O12
Purity ≥95%
Target Plants
IUPAC Name (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1
InChIKey KRZBCHWVBQOTNZ-RDJMKVHDSA-N
SMILES C1C(C(C(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

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