LBF18107EO01
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8012 |
| LipidMaps | LMFA01070004 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18107EO01.mol |
| |
| Structural Information | |
| Systematic Name | 9,10-Epoxy-13-Hydroxy-11-Octadecenoic Acid/9,10-Epoxy-13-Hydroxy-11-Octadecenoate |
| Common Name | |
| Symbol | |
| Formula | C18H32O4 |
| Exact Mass | 312.23005951199997 |
| Average Mass | 312.44428 |
| SMILES | C(C(C=CC(O)CCCCC)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)<<8017/8056/8009/8012>>: m/e= 398[M], 383[M-CH3], 367[M-OCH3], 327[M-(CH2)4CH3], 241[M-(CH2)7COOCH3] |
| UV Spectra | l=277 and 316nm(very weak absorption)<<8009>> |
| IR Spectra | Metyl ester<<8017/8056/8009>>: trans olefin(965-958cm-1), trans epoxide(890-874 cm-1), cis epoxide(weak absorprion; 845 AND 830cm-1), free OH(3600cm-1),bonded OH(3640-3380cm-1) |
| NMR Spectra | 1H-NMR(methyl ester)<<8017/8056/8009>>: C9(2.83ppm), C10(3.09-3.1ppm;trans epoxide), C11(5.45-5.53ppm), C12(5.93-5.95ppm), C13(3.9-4.2ppm), C12, 13(2.9-3.4ppm;cis epoxide), OH proton(3.6ppm), J11-12=15.6Hz(trans unsaturation), J9-10=2-2.2Hz(trans epoxide) |
| Chromatograms | |
