4-O-CAFFEOYLQUINICO-ACID
Compound with spectra: 3 NMR
| SpectraBase Compound ID | 7fprQsJGAtA |
|---|---|
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| InChIKey | GYFFKZTYYAFCTR-JUHZACGLSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
| Enantiomer InChIKey | GYFFKZTYYAFCTR-KJOPMHRFSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
- 4-O-CAFFEOYL-QUINIC-ACID
- 4-CQA;4-CAFFEOYLQUINIC-ACID
BENZYL-4-O-BUTANOYLQUINATE;BENZYL-4-ALPHA-(BUTANOYLOXY)-1-ALPHA,3-ALPHA,5-BETA-TRIHYDROXYCYCLOHEXANE-1-BETA-CARBOXYLATE
3-O-TRANS-ISOFERULOYL-ALPHA-RHAMNOPYRANOSIDE
3-O-TRANS-ISOFERULOYL-BETA-RHAMNOPYRANOSIDE
ETHYL-ROSMARINATE
ROSMARINIC-ACID-BUTYLESTER
INONOTUSIN-A;6-(11,12-DIHYDROXY-STYRYL)-2-HYDROXY-2-METHYL-5,6-DIHYDRO-OXEPINE-1,4-DIONE
(-)-QUINATE-3-PHOSPHATE-TRIS-(TRIETHYLAMMONIUM)-SALT
PXLLEVQSTHRYFA-NBXYFNITSA-N
PXLLEVQSTHRYFA-QKIRTVCXSA-N
PARA-COUMAROYL-O-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 |
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.