LBF18203HP04: Difference between revisions
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|LipidMaps=LMFA01040055 | |LipidMaps=LMFA01040055 | ||
|SysName=Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate | |SysName=Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate | ||
|Common Name=&&Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate&& | |||
|Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=412[M]; 322[M-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]; 153[M-259]; 69[CH2CH=CHCH2CH3]; 55[CH=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)(106): m/e=457[M-CH3-HOTMS] | |Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: m/e=412[M]; 322[M-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]; 153[M-259]; 69[CH2CH=CHCH2CH3]; 55[CH=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)(106): m/e=457[M-CH3-HOTMS] | ||
|IR Spectra=OOH group: 3635-3300cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded]; olefinic protons: 3005cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 965cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]] | |IR Spectra=OOH group: 3635-3300cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded]; olefinic protons: 3005cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 965cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> [[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: C8: 1.6ppm; C9: 4.22ppm; C10: 4.65ppm; C11, 12: 5.98ppm; C13: 4.48ppm; C14: 2.0ppm; C15, 16: 5.45ppm; C17: 2.05ppm; OOH: 8.65ppm | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:,Lipids,1984,19,952}}]]: C8: 1.6ppm; C9: 4.22ppm; C10: 4.65ppm; C11, 12: 5.98ppm; C13: 4.48ppm; C14: 2.0ppm; C15, 16: 5.45ppm; C17: 2.05ppm; OOH: 8.65ppm | ||
}} | }} | ||
Revision as of 09:01, 20 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8074 |
| LipidMaps | LMFA01040055 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18203HP04 |
| Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate | |
|---|---|
| |
| Structural Information | |
| Methyl-10,13-Epdioxy-9-Hydroperoxy-11,15-Octadecadienoate | |
| |
| Formula | C19H32O6 |
| Exact Mass | 356.219888756 |
| Average Mass | 356.45378 |
| SMILES | CCC=CCC(C=1)OOC(C1)C(OO)CCCCCCCC(=O)OC |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=412[M]; 322[M-HOTMS]; 259[SMTO=CH(CH2)7COOCH3]; 153[M-259]; 69[CH2CH=CHCH2CH3]; 55[CH=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)(106): m/e=457[M-CH3-HOTMS] |
| UV Spectra | |
| IR Spectra | OOH group: 3635-3300cm-1[bonded]; olefinic protons: 3005cm-1; isolated trans unsaturation: 965cm-1 Neff_WE et al. |
| NMR Spectra | 1H-NMR Neff_WE et al.: C8: 1.6ppm; C9: 4.22ppm; C10: 4.65ppm; C11, 12: 5.98ppm; C13: 4.48ppm; C14: 2.0ppm; C15, 16: 5.45ppm; C17: 2.05ppm; OOH: 8.65ppm |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | |||||||||||||||
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