Chlorogenic acid
Compound with spectra: 1 NMR
| SpectraBase Compound ID | HCtKfJqQyDL |
|---|---|
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14-,16-/m1/s1 |
| InChIKey | CWVRJTMFETXNAD-QEPAVKMUSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
| Enantiomer InChIKey | CWVRJTMFETXNAD-FWCWNIRPSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
Chlorogenic acid
3-BETA-O-TRANS-CAFFEOYL-1,4,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
3-CAFFEOYL-MUCO-QUINIC-ACID;1S-3-BETA-O-TRANS-CAFFEOYL-1-ALPHA,4-ALPHA,5-BETA-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
3-O-CAFFEOYLQUINICO-ACID
Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]
CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID
Chlorogenic acid
Chlorogenic acid, anion
5-Caffeoylquinic acid
(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid
2,4/3,5-DICAFFEOYL-GLUCARIC-ACID
1,3-Benzodioxole-5-carboxylic acid, hexahydro-5,7-dihydroxy-2,2-dimethyl-, [3aR-(3a.alpha.,5.beta.,7.alpha.,8a.alpha.)]-
BREVIPOLIDE_D
PARA-HYDROXYPHENYL-6-O-TRANS-CAFFEOYL-BETA-D-ALLOPYRANOSIDE
| Title | Journal or Book | Year |
|---|---|---|
| A New Glucosyl Feruloyl Quinic Acid as a Potential Marker for Roots and Rhizomes of Goldenseal, Hydrastis canadensis | Journal of Natural Products | 2004 |
This compound is available in the following databases:
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.