LBF18108HP01
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| + | {{Hierarchy|{{PAGENAME}}}} | ||
| + | |||
{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8009 | |LipidBank=DFA8009 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8009 |
| LipidMaps | LMFA01040010 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18108HP01.mol |
| |
| Structural Information | |
| Systematic Name | 12,13-Epoxy-9-Hydroperoxy-10-Octadecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C18H32O5 |
| Exact Mass | 328.224974134 |
| Average Mass | 328.44368000000003 |
| SMILES | C(C(C=CC(OO)CCCCCCCC(O)=O)1)(CCCCC)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis, reduction and trimethylsilylation)<<8052/8061>> |
| UV Spectra | |
| IR Spectra | Isorated trans unsaturation(970cm-1), trans epoxide(885cm-1), OOH(3600 AND 3430cm-1) <<8052>> |
| NMR Spectra | 1H-NMR(methyl ester)<<8052>>: C9(4.33ppm), C10(5.85ppm), C11(5.47ppm), C12(3.11ppm), C13(2.84ppm) J10-11=16Hz(trans olefin), J12-13=2Hz(trans epoxide) |
| Chromatograms | |
