LBF18208HP01: Difference between revisions
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|LipidMaps=LMFA01040036 | |LipidMaps=LMFA01040036 | ||
|SysName=Methyl 9-Butylperoxy-10,12-Octadecadienoate | |SysName=Methyl 9-Butylperoxy-10,12-Octadecadienoate | ||
|Mass Spectra=GC-EI-MS(hydrogenation with palladium-charcoal) | |Mass Spectra=GC-EI-MS(hydrogenation with palladium-charcoal)[[Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192}}]] | ||
|UV Spectra=<FONT FACE="Symbol">l</FONT>ether/max=234nm | |UV Spectra=<FONT FACE="Symbol">l</FONT>ether/max=234nm[[Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192}}]] | ||
|IR Spectra=Ester carbonyl(1740cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans, trans diene(991cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Ester carbonyl(1740cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), trans, trans diene(991cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192|{{RelationTable/GetFirstAuthor|Reference:Schieberle_P:Grosch_W:,Z. Lebensm. Unters. Forsch.,1981,173,192}}]]: C10-C13(5.5-6.1ppm), C9(4.1ppm), C14(2.1ppm) | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8048 |
| LipidMaps | LMFA01040036 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18208HP01 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| Methyl 9-Butylperoxy-10,12-Octadecadienoate | |
| Formula | C23H42O4 |
| Exact Mass | 382.30830983199996 |
| Average Mass | 382.57718 |
| SMILES | C(CCCC(=O)OC)CCCC(OOC(C)(C)C)C=CC=CCCCCC |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(hydrogenation with palladium-charcoal) SchieberlePet al. |
| UV Spectra | lether/max=234nm SchieberlePet al. |
| IR Spectra | Ester carbonyl(1740cm-1), trans, trans diene(991cm-1) SchieberlePet al. |
| NMR Spectra | 1H-NMR SchieberlePet al.: C10-C13(5.5-6.1ppm), C9(4.1ppm), C14(2.1ppm) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||
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