CYNARIN
Compound with spectra: 2 NMR
| SpectraBase Compound ID | BROvayM8pJe |
|---|---|
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 |
| InChIKey | YDDUMTOHNYZQPO-RVXRWRFUSA-N |
| Mol Weight | 516.46 g/mol |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.126776 g/mol |
| Enantiomer InChIKey | YDDUMTOHNYZQPO-KDBOUVDRSA-N |
| 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 | DMSO-D6 |
- CYNARIN;1,3-O-DICAFFEOYLQUINIC_ACID
3,4-dihydroxycinnamic acid, 1-carboxy-3,5-dihydroxy-1,4-cycloehexylene ester, hydrate
4-O-FERULOYL-5-O-CAFFEOYLQUINIC-ACID
3,4-DI-O-CAFFEOYL-QUINIC-ACID-METHYLESTER
3,5-DI-O-CAFFEOLY-4-O-[(1-HYDROXY-4-OXOCYCLOHEXA-2,5-DIENYL)-ACETYL]-QUINIC_ACID
ETHYL-(1S,3R,4R,5R)-3,4-BIS-([(E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-OXY)-1,5-DIHYDROXYCYCLOHEXANECARBOXYLATE
4,5-DI-O-CAFFEOYL-QUINIC-ACID-BUTYLESTER
METHYL_3,5-DI-O-CAFFEOYL-4-O-(3-HYDROXY-3-METHYL)-GLUTAROYLQUINATE
| Title | Journal or Book | Year |
|---|---|---|
| Preparative separation of polyphenols from artichoke by polyamide column chromatography and high-speed counter-current chromatography | Química Nova | 2013 |
| Antioxidant activity-guided phytochemical investigation of Artemisia gmelinii Webb. ex Stechm.: Isolation and spectroscopic challenges of 3,5-O-dicaffeoyl (epi?) quinic acid and its ethyl ester | Journal of Pharmaceutical and Biomedical Analysis | 2012 |
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.
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.