3-O-CAFFEOYLQUINICO-ACID
Compound with spectra: 4 NMR
| SpectraBase Compound ID | 1CNJPd96bTv |
|---|---|
| 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-NXLLHMKUSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
| Enantiomer InChIKey | CWVRJTMFETXNAD-PNQZTZQXSA-N |
| 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 | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
- 5-CQA;5-CAFFEOYLQUINIC-ACID
- Chlorogenic acid
- 5-O-CAFFEOYLQUINIC-ACID
5-Caffeoylquinic acid
Chlorogenic acid
3-CAFFEOYL-MUCO-QUINIC-ACID;1S-3-BETA-O-TRANS-CAFFEOYL-1-ALPHA,4-ALPHA,5-BETA-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
Chlorogenic acid, anion
CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID
Chlorogenic acid
Chlorogenic acid
Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]
3-BETA-O-TRANS-CAFFEOYL-1,4,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-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 |
|---|---|---|
| First Chemical Evaluation and Toxicity of Casinga-cheirosa to Balb-c Male Mice | Molecules | 2014 |
| Complex mixture analysis of organic compounds in green coffee bean extract by two-dimensional NMR spectroscopy | Magnetic Resonance in Chemistry | 2010 |
| A New Phloroglucinol Diglycoside Derivative from Hypericum japonicum Thunb. | Molecules | 2008 |
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.