LBF18208HP01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8048 | |LipidBank=DFA8048 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8048 |
| LipidMaps | LMFA01040036 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18208HP01.mol |
| |
| Structural Information | |
| Systematic Name | Methyl 9-Butylperoxy-10,12-Octadecadienoate |
| Common Name | |
| Symbol | |
| Formula | C23H42O4 |
| Exact Mass | 382.30830983199996 |
| Average Mass | 382.57718 |
| SMILES | C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(hydrogenation with palladium-charcoal)<<8057>> |
| UV Spectra | lether/max=234nm<<8057>> |
| IR Spectra | Ester carbonyl(1740cm-1), trans, trans diene(991cm-1)<<8057>> |
| NMR Spectra | 1H-NMR<<8057>>: C10-C13(5.5-6.1ppm), C9(4.1ppm), C14(2.1ppm) |
| Chromatograms | |
