LBF21107HP01
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8093 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF21107HP01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl 6,8-Epidioxy-5,15-Dihydroperoxy-9,11,13-Eicosatrienoate |
| Common Name | |
| Symbol | |
| Formula | C21H34O8 |
| Exact Mass | 414.225368064 |
| Average Mass | 414.48986 |
| SMILES | C(CCC(OO)C=CC=CC=CC(C1)OOC1C(OO)CCCC(OC)=O)CC |
| 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)<<8097>>: m/e=517[M-(CH2)4CH3-HOTMS]; 427[M-(CH2)4CH3-2xHOTMS]; 385[M-SMTO=CH(CH2)3COOCH3-HOTMS]; 359[SMTO=CH(CH2)6CH(OTMS)(CH2)4CH3]; 337[M-(CH2)4CH3-3xHOTMS] |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
