1,4-Dicaffeoylquinic acid

CAS Registry Number®

1182-34-9
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CAS Name

1,4-Dicaffeoylquinic acid

Molecular Formula

C25H24O12

Molecular Mass

516.45

Cite this Page

1,4-Dicaffeoylquinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=1182-34-9 (retrieved 2024-05-13) (CAS RN: 1182-34-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/t19-,20-,23-,25+/s2

InChIKey

InChIKey=IYXQRCXQQWUFQV-GWELMYFGNA-N

SMILES

O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@@]2(C(O)=O)C[C@@H](O)[C@@H](OC(C=CC3=CC(O)=C(O)C=C3)=O)[C@H](O)C2

Canonical SMILES

O=C(OC1C(O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC1O)C=CC3=CC=C(O)C(O)=C3

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxy-, (1α,3R,4α,5R)-rel-
  • Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester
  • Cyclohexanecarboxylic acid, 1,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,5-dihydroxy-, (1α,3α,4α,5β)-
  • rel-(1α,3R,4α,5R)-1,4-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,5-dihydroxycyclohexanecarboxylic acid
  • 1,4-Dicaffeylquinic acid

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Deleted or Replaced CAS Registry Numbers

102262-68-0, 1884-23-7, 15363-91-4

CAS INSIGHTSTM
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