CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID
Compound with spectra: 15 NMR
| SpectraBase Compound ID | Cq7rj9vmTtY |
|---|---|
| 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+/m0/s1 |
| InChIKey | CWVRJTMFETXNAD-KJOPMHRFSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
| Enantiomer InChIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD:D2O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6:D2O=1:1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
- CHLOROGENIC-ACID;5'-O-CAFFEOYL-QUINIC-ACID
- 5-O-DICAFFEOYL-QUINIC-ACID
- Chlorogenic acid
- 5-O-CAFFEOYLQUINIC-ACID
- CHLOROGENIC-ACID;5-O-CAFFEOYL-QUINIC-ACID
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
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
DUNALIANOSIDE-A;PARA-HYDROXYPHENYL-6'-O-CIS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
| Title | Journal or Book | Year |
|---|---|---|
| Irbic acid, a dicaffeoylquinic acid derivative from Centella asiatica cell cultures | Fitoterapia | 2011 |
| Análises quali- e quantitativa de cafés comerciais via ressonância magnética nuclear | Química Nova | 2006 |
| Constituintes polares das folhas de Machaonia brasiliensis (Rubiaceae) | Química Nova | 2004 |
| Nonsteroidal Constituents fromSolanum IncanumL. | Journal of the Chinese Chemical Society | 2000 |
| Solvent effects in the structure dereplication of caffeoyl quinic acids | Magnetic Resonance in Chemistry | 1999 |
| Immunomodulatory Principles of Dichrocephala bicolor | Journal of Natural Products | 1999 |
| Antiviral caffeoyl esters from Spondias mombin | Phytochemistry | 1992 |
| Antioxidative components of sweet potatoes. | Journal of Nutritional Science and Vitaminology | 1984 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.