LBF18107EO02: Difference between revisions
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|LipidMaps=LMFA01070005 | |LipidMaps=LMFA01070005 | ||
|SysName=9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | |SysName=9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | ||
|Common Name=&&9,10-Epoxy-13-Oxo-11-Octadecenoic Acid&& | |||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation )[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]], GC-EIMS(after BF3-MeOH treatment and trimethylsilylation)(075/072): m/e=428[M], 413[M-CH3], 259[SMTO=CH(CH2)7- COOCH3], 242[CH3OCH-CH=CH-C(OTMS)(CH2)4CH3] | |Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation )[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]], GC-EIMS(after BF3-MeOH treatment and trimethylsilylation)(075/072): m/e=428[M], 413[M-CH3], 259[SMTO=CH(CH2)7- COOCH3], 242[CH3OCH-CH=CH-C(OTMS)(CH2)4CH3] | ||
|UV Spectra=<FONT FACE="Symbol">l</FONT> ether/max=229-230nm; <FONT FACE="Symbol">e</FONT>=16500 (<FONT FACE="Symbol">a</FONT>,<FONT FACE="Symbol">b</FONT>-unsaturated carbonyl)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448}}]] | |UV Spectra=<FONT FACE="Symbol">l</FONT> ether/max=229-230nm; <FONT FACE="Symbol">e</FONT>=16500 (<FONT FACE="Symbol">a</FONT>,<FONT FACE="Symbol">b</FONT>-unsaturated carbonyl)[[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Tsoukalas_B:Grosch_W:,Z. Lebensm. Unters. Forsch.,1979,168,448}}]] | ||
Revision as of 08:11, 19 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8016 |
| LipidMaps | LMFA01070005 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18107EO02 |
| 9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | |
|---|---|
| |
| Structural Information | |
| 9,10-Epoxy-13-Oxo-11-Octadecenoic Acid | |
| |
| Formula | C18H30O4 |
| Exact Mass | 310.21440944799997 |
| Average Mass | 310.4284 |
| SMILES | C(C(C=CC(=O)CCCCC)1)(CCCCCCCC(O)=O)O1 |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation ) Gardner_HW et al., GC-EIMS(after BF3-MeOH treatment and trimethylsilylation)(075/072): m/e=428[M], 413[M-CH3], 259[SMTO=CH(CH2)7- COOCH3], 242[CH3OCH-CH=CH-C(OTMS)(CH2)4CH3] |
| UV Spectra | l ether/max=229-230nm; e=16500 (a,b-unsaturated carbonyl) Gardner_HW et al. SchieberlePet al. |
| IR Spectra | Methyl ester: trans monoene(973cm-1), trans epoxide(885cm-1), cis epoxide(825 cm-1), conjugated carbonyl(1700, 1680, and 1635cm-1) Gardner_HW et al. |
| NMR Spectra | 1H-NMR Gardner_HW et al.: C9(2.9ppm;trans epoxide), C10(3.20ppm; trans epoxide), C9(3.14ppm; cis-epoxide),C10(3.47ppm; cis epoxide), C11(6.57-6.63ppm), C12(6.34-6.36ppm), C14(2.52ppm), J9-10=2Hz(trans epoxide), J9-10=4Hz(cis epoxide), J11-12=16Hz(trans olefin) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||
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