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Substance Name: 3,4-Dicaffeoylquinic acid
RN: 89886-30-6
UNII: E57A0DKE0B
InChIKey: UFCLZKMFXSILNL-RVXRWRFUSA-N

Molecular Formula

  • C25-H24-O12

Molecular Weight

  • 516.4526
 
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Names and Synonyms

Name of Substance

  • 3,4-Dicaffeoylquinic acid

Synonyms

  • 3,4-Di-O-caffeoylquinic acid
  • 3,4-Dicaffeoylquinic acid
  • 3,4-Dicqa
  • Cyclohexanecarboxylic acid, 3,4-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,5-dihydroxy-, (1R,3R,4S,5R)-
  • UNII-E57A0DKE0B

Registry Numbers

CAS Registry Number

  • 89886-30-6

FDA UNII

  • E57A0DKE0B

System Generated Number

  • 0089886306

Structure Descriptors

InChI

1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

InChIKey

UFCLZKMFXSILNL-RVXRWRFUSA-N

Smiles

O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O