4,5-DI-O-CAFFEOYL-QUINIC-ACID-BUTYLESTER
Compound with spectra: 1 NMR
| SpectraBase Compound ID | KYcPDWr4dEM |
|---|---|
| InChI | InChI=1S/C29H32O12/c1-2-3-12-39-28(37)29(38)15-23(34)27(41-26(36)11-7-18-5-9-20(31)22(33)14-18)24(16-29)40-25(35)10-6-17-4-8-19(30)21(32)13-17/h4-11,13-14,23-24,27,30-34,38H,2-3,12,15-16H2,1H3/b10-6+,11-7+/t23-,24-,27-,29+/m0/s1 |
| InChIKey | QDOLLBRJZCDKGH-UBVWIDQVSA-N |
| Mol Weight | 572.6 g/mol |
| Molecular Formula | C29H32O12 |
| Exact Mass | 572.189376 g/mol |
| Enantiomer InChIKey | QDOLLBRJZCDKGH-SDDDVFEQSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
ETHYL-(1S,3R,4R,5R)-3,4-BIS-([(E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-OXY)-1,5-DIHYDROXYCYCLOHEXANECARBOXYLATE
METHYL-4-O-FERULOYL-5-O-CAFFEOYLQUINATE
Methyl 3,4-bis(3',4'-dimethoxy-cinnamoyl)-quinate
METHYL_3,5-DI-O-CAFFEOYL-4-O-(3-HYDROXY-3-METHYL)-GLUTAROYLQUINATE
3,5-DI-O-CAFFEOLY-4-O-[(1-HYDROXY-4-OXOCYCLOHEXA-2,5-DIENYL)-ACETYL]-QUINIC_ACID
Cyclohexanecarboxylic acid, 3-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trimethoxy-, methyl ester, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-
5-O-CAFFEOYL-3-O-SYRINGOYLQUINIC_ACID
3,4-dihydroxycinnamic acid, 1-carboxy-3,5-dihydroxy-1,4-cycloehexylene ester, hydrate
1,3-DI-O-CAFFEOYL-QUINIC-ACID
CYNARIN
| Title | Journal or Book | Year |
|---|---|---|
| A new dicaffeoylquinic acid butyl ester from Isertia pittieri | Fitoterapia | 2002 |
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.