LBF18303HP02
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8051 |
| LipidMaps | LMFA01040014 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18303HP02.mol |
| |
| Structural Information | |
| Systematic Name | 12-Hydroperoxy-9,13,15-Octadecatrienoic Acid/12-Hydroperoxy-9,13,15-Octadecatrienoate |
| Common Name | |
| Symbol | |
| Formula | C18H30O4 |
| Exact Mass | 310.21440944799997 |
| Average Mass | 310.4284 |
| SMILES | CCC=CC=CC(OO)CC=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | EI-MS(Me-ester; after reduction and hydrogenation)<<8020/8076>>: m/e=229[O=CH(CH2)10C(=OH)OCH3]; 200[CH2(CH2)9C(=OH)OCH3]; 197[O=CH(CH2)10C=O], GC-EI-MS(Me-ester; after reduction and TMS)<<8090/8077>>: m/e=380[M]; 365[M-CH3]; 183[SMTO=CH-CH=CH-CH=CH-CH2-CH3] |
| UV Spectra | (Me-ester;after reduction;in etoh)<<8076>>, cis, trans, cis isomer: lmax=233nm , cis, trans, trans isomer: lmax=232nm |
| IR Spectra | (Me-ester; after reduction)<<8076/8077>>, cis, trans,cis isomer: 990-983 and 951-945cm-1; cis, trans, trans isomer: 992-983cm-1, (Me-ester)<<8078>>, OOH group: 3400cm-1 |
| NMR Spectra | |
| Chromatograms | |
