LBF18107HO03
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8026 |
| LipidMaps | LMFA01050128 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18107HO03.mol |
| |
| Structural Information | |
| Systematic Name | 9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate |
| Common Name | |
| Symbol | |
| Formula | C18H34O4 |
| Exact Mass | 314.24570957599997 |
| Average Mass | 314.46016 |
| SMILES | CCCCCC(O)C=CCC(O)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8059/8017/8012>>: m/e=429[M-43], 355, 259[SMTO=CH-CH(CH2)7 COOCH3], 199[CH=CH-CH(OTMS)-(CH2)4CH3], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)<<8059/8092>> |
| UV Spectra | |
| IR Spectra | Trans unsaturation(980cm-1), olefinic(3010cm-1), OH(3620-3500cm-1)<<8017>> |
| NMR Spectra | 1H-NMR(90MHz,CDCl3): trans olefinic protons(5.6-6.22ppm), carbinol methine protons(4.12ppm), J11-12=12.1Hz(trans unsaturation) <<8017>> |
| Chromatograms | |
