LBF18303HP01
From Metabolomics.JP
| IDs and Links | |
|---|---|
| LipidBank | DFA8050 |
| LipidMaps | LMFA01040013 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18303HP01.mol |
| |
| Structural Information | |
| Systematic Name | 9-Hydroperoxy-10,12,15-Octadecatrienoic Acid/9-Hydroperoxy-10,12,15-Octadecatrienoate |
| Common Name | |
| Symbol | |
| Formula | C18H30O4 |
| Exact Mass | 310.21440944799997 |
| Average Mass | 310.4284 |
| SMILES | CCC=CCC=CC=CC(OO)CCCCCCCC(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=187[O=CH(CH2)7C(=OH)OCH3]; 158[CH2(CH2)6C(=OH)OCH3]; 155[O=CH(CH2)7C=O], GC-EI-MS(Me-ester; after reduction and TMS)<<8090/8077>>: m/e=380[M]; 365[M-CH3]; 223[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-CH2CH3] |
| UV Spectra | (Me-ester; after reduction; in etoh)<<8076>>, trans, cis, cis isomer: lmax=236nm trans, trans, cis isomer: lmax=232nm |
| IR Spectra | (Me-ester; after reduction)<<8076/8077>>, trans, cis, cis isomer:9 88-983 AND 951-945cm-1; trans, trans, cis isomer: 992-983cm-1 (Me-ester)<<8078>>, OOH group: 3400cm-1 |
| NMR Spectra | |
| Chromatograms | |
