CHLOROGENIC-ACID-METHYLESTER;3-O-(E)-CAFFEOYL-QUINIC-ACID-METHYLESTER
Compound with spectra: 3 NMR
| SpectraBase Compound ID | 3kqJYlLXGrZ |
|---|---|
| InChI | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m0/s1 |
| InChIKey | MZNIJRAPCCELQX-LQMUPLJOSA-N |
| Mol Weight | 368.34 g/mol |
| Molecular Formula | C17H20O9 |
| Exact Mass | 368.110732 g/mol |
| Enantiomer InChIKey | MZNIJRAPCCELQX-AWOKGZDASA-N |
| 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 | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
- METHYL-5-O-CAFFEOYL-QUINATE
- 3-CAFFEOYLQUINIC-ACID-METHYLESTER
5-O-(TRANS)-O-COUMAROYL-QUINIC-ACID-METHYLESTER
ETHYL_3,5-O-DICAFFEOYLEPIQUINIC_ACID;(1-S,3-R,4-S,5-S)-1,3-BIS-({[(2-E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-
ETHYL-(1R,3R,4S,5R)-3,5-BIS-([(E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLATE
3-O-FERULOYLQUINIC-ACID
METHYL-1,5-O-DIACETYL-(-)-QUINATE
3-O-GALLOYL-QUINIC-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
(1S,3R,4S,5R)-METHYL-4,5-O-(2,2,2-TRICHLORO-ETHYLIDENE)-1,3,4,5-TETRAHYDROXY-CYCLOHEXANE-1-CARBOXYLATE
HHMJLZWAMRVPTK-UWPRJSOQSA-N
1,6-DI-O-CAFFEOYL-BETA-D-GLUCOPYRANOSE
| Title | Journal or Book | Year |
|---|---|---|
| Two flavonoids and other compounds from the aerial parts of Centaurea bracteata from Italy | Phytochemistry | 2001 |
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.