4-O-Feruloyl-5-O-caffeoylquinic acid

CAS Registry Number®

125132-81-2

CAS Name

4-O-Feruloyl-5-O-caffeoylquinic acid

Molecular Formula

C26H26O12

Molecular Mass

530.48

Cite this Page

4-O-Feruloyl-5-O-caffeoylquinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125132-81-2 (retrieved 2024-11-13) (CAS RN: 125132-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/t19-,21-,24-,26+/m1/s1

InChIKey

InChIKey=RKAYMOSEFYVEJU-UNMCOINBSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=CC2=CC=C(O)C(OC)=C2)C=CC3=CC=C(O)C(O)=C3

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1S,3R,4R,5R)-
  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, [1S-(1α,3β,4α,5α)]-
  • Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (1S,3R,4R,5R)-
  • (1S,3R,4R,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]cyclohexanecarboxylic acid
  • 4-O-Feruloyl-5-O-caffeoylquinic acid

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