IRBIC-ACID;3,5-DICAFFEOYL-4-O-MALONYLQUINIC-ACID
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 6N1KnCxf0IH |
|---|---|
| InChI | InChI=1S/C28H26O15/c29-16-5-1-14(9-18(16)31)3-7-23(35)41-20-12-28(40,27(38)39)13-21(26(20)43-25(37)11-22(33)34)42-24(36)8-4-15-2-6-17(30)19(32)10-15/h1-10,20-21,26,29-32,40H,11-13H2,(H,33,34)(H,38,39)/b7-3+,8-4+/t20-,21-,26-,28+/m0/s1 |
| InChIKey | DVTWOUGPAWPIGB-KRHLTUINSA-N |
| Mol Weight | 602.5 g/mol |
| Molecular Formula | C28H26O15 |
| Exact Mass | 602.12717 g/mol |
| Enantiomer InChIKey | DVTWOUGPAWPIGB-BJSQEOLHSA-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 | C5D5N |
ETHYL_5-O-CAFFEOYL-3-O-SINPOYLQUINATE
1-ISOBUTYRYL-3,5-DICAFFEOYLQUINIC-ACID
3,4,5-TRI-O-GALLOYLQUINIC-ACID
3-O-[3,4-(DIMETHOXY)-CINNAMOYL]-1,5-GAMMA-QUINIDE
2-Nitrochlorogenic acid
4-exo-Benzoyloxy-3-endo-bromo-1R-hydroxy-6-oxa-bicyclo(3.2.1)octan-7-one
DUNALIANOSIDE-E;4'-O-ACETYL-6'-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
BACOPASIDE-B;3,4-DIHYDROXYPHENYLETHYL-ALCOHOL-(2-O-FERULOYL)-BETA-D-GLUCOPYRANOSIDE
DESRHAMNOPYRANOSYLACTEOSIDE
PLANTAIONOSIDE-B
| Title | Journal or Book | Year |
|---|---|---|
| Irbic acid, a dicaffeoylquinic acid derivative from Centella asiatica cell cultures | Fitoterapia | 2011 |
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.