LBF20206HP01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8094 |
| LipidMaps | LMFA01040061 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20206HP01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl 6,8,9,11-Bisepidioxy-5-Hydroperoxy-12,14-Eicosadienoate |
| Common Name | |
| Symbol | |
| Formula | C21H34O8 |
| Exact Mass | 414.225368064 |
| Average Mass | 414.48986 |
| SMILES | C(CC=CC=CC(C1)OOC(C(O2)CC(O2)C(OO)CCCC(OC)=O)1)CCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)<<>>: m/e=473[M-SMTO=CH(CH2)3COOCH3-HOTMS]; 383[M-SMTO=CH(CH2)3COOCH3-2xHOTMS]; 331[SMTO=CHCH2CH(OTMS)CH(OTMS)(CH2)3COOCH3-HOTMS]; 241[SMTO=CHCH2CH(OTMS)CH(OTMS)(CH2)3COOCH3-2xHOTMS] |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
