LBF18106EO02
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8011 |
| LipidMaps | LMFA01070003 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18106EO02.mol |
| |
| Structural Information | |
| Systematic Name | 9,10-Epoxy-11-Hydroxy-12-Octadecenoic Acid/9,10-Epoxy-11-Hydroxy-12- Octadecenoate |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | C(C(C(O)C=CCCCCC)1)(CCCCCCCC(O)=O)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8013/8059/8012/8063/8071/8017>>: m/e= 398[M], 383[M-CH3], 241[M-(CH2)7COOCH3], 199[SMTO=CH-CH=CH(CH2)4CH3 or CH(-O-)-CH(CH2)7COOCH3], GC-EI-MS(after methanolysis, reduction and hydrogenation)(078), GC-EI-MS(after aceto-hydrolyzation, methanolysis and trimethylsilylation)<<8066/8059>>: m/e=361[SMTO |
| UV Spectra | |
| IR Spectra | Methyl ester<<8013/8057/8059/8066/8071>>: trans olefin(980cm-1), trans epoxide(900-890cm-1), OH(3620-3300cm-1) |
| NMR Spectra | 1H-NMR<<8013>>: trans-epoxy-cis-ene: C9(2.98ppm), C10(2.77ppm), C11(4.63ppm), C12(5.32ppm), C13(5.60ppm), C14(2.06ppm), J9-10=2Hz, J10-11=4Hz, J11-12=8Hz J12-13=11Hz / trans-epoxy-trans-ene: C9(2.93ppm), C10(2.77ppm), C11(4.25ppm), C12, 13(5.54ppm), C14(2.06ppm) |
| Chromatograms | |
