LBF21304HP01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8070 | |LipidBank=DFA8070 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8070 |
| LipidMaps | LMFA01040054 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF21304HP01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-8- [ 3,5-Epidioxy-2- (3-Hydroperoxy-1-Pentenyl) Cyclopentyl ] Octanoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O6 |
| Exact Mass | 356.219888756 |
| Average Mass | 356.45378 |
| SMILES | C(C2CCCCCCCC(=O)OC)(O1)CC(C2C=CC(CC)OO)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction and hydrogenation and TMS-derivatization)<<8084>>: m/e=545[M-CH3]; 455[545-HOTMS]; 401[M-(CH2)2CH(OTMS)CH2CH3]; 131[SMTO=CHCH2CH3] |
| UV Spectra | |
| IR Spectra | OOH group: 3620-3010cm-1[bonded], 3520cm-1[free]; isolated trans unsaturation: 960cm-1<<8084>> |
| NMR Spectra | |
| Chromatograms | |
