LBF18108HO02: Difference between revisions
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|LipidMaps=LMFA01050122 | |LipidMaps=LMFA01050122 | ||
|SysName=12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid | |SysName=12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid | ||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation) | |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}}]][[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]]: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 416[CH3CH2OCH-CH=CH-CH(OTMS)-(CH2)7-C(OTMS)OCH3: rearrangement peak] | ||
|IR Spectra=Isolated trans olefin(980-978cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), ether alcohol CO stretch(1090cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3500-3420cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Isolated trans olefin(980-978cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), ether alcohol CO stretch(1090cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3500-3420cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[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:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) [[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:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]] | ||
}} | }} | ||
Revision as of 00:00, 12 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8019 |
| LipidMaps | LMFA01050122 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18108HO02 |
| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
|---|---|
| |
| Structural Information | |
| 12-Ethoxy-9,13-Dihydroxy-10-Octadecenoic Acid | |
| Formula | C20H38O5 |
| Exact Mass | 358.271924326 |
| Average Mass | 358.51272 |
| SMILES | OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al. Neff_WE et al.: m/e=343[M-173], 259[SMTO=CH-(CH2)7COOCH3], 173[SMTO=CH-(CH2)4CH3], 416[CH3CH2OCH-CH=CH-CH(OTMS)-(CH2)7-C(OTMS)OCH3: rearrangement peak] |
| UV Spectra | |
| IR Spectra | Isolated trans olefin(980-978cm-1), ether alcohol CO stretch(1090cm-1), OH(3500-3420cm-1) Gardner_HW et al. Neff_WE et al. |
| NMR Spectra | 1H-NMR: C9(4.12ppm), C10, 11(5.63ppm), C12, 13(3.62ppm), OH(5.6ppm), -OCH2CH3(1.16ppm), -OCH2CH3(3.44ppm) Gardner_HW et al. Neff_WE et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||
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