1,3-Dicaffeoylquinic acid

CAS Registry Number®

19870-46-3

CAS Name

1,3-Dicaffeoylquinic acid

Molecular Formula

C25H24O12

Molecular Mass

516.45

Cite this Page

1,3-Dicaffeoylquinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19870-46-3 (retrieved 2024-11-24) (CAS RN: 19870-46-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YDDUMTOHNYZQPO-BBLPPJRLSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)(C(=O)O)CC(O)C1O)C=CC3=CC=C(O)C(O)=C3

Other Names for this Substance

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

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CAS INSIGHTSTM
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