3-Feruloyl-4-caffeoylquinic acid

CAS Registry Number®

96990-65-7

CAS Name

3-Feruloyl-4-caffeoylquinic acid

Molecular Formula

C26H26O12

Molecular Mass

530.48

Cite this Page

3-Feruloyl-4-caffeoylquinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96990-65-7 (retrieved 2024-11-13) (CAS RN: 96990-65-7).  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)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(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=SDMADMBVKYOYQN-UNMCOINBSA-N

SMILES

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

Other Names for this Substance

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

CAS INSIGHTSTM
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