LBF18109MO03: Difference between revisions
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|LipidMaps=LMFA01080006 | |LipidMaps=LMFA01080006 | ||
|SysName=12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid | |SysName=12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid | ||
|Common Name=&&12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid&& | |||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3] | |Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3] | ||
|IR Spectra=Methyl ester(CS2)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: cis olefin(750cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3550 and 3490cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | |IR Spectra=Methyl ester(CS2)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: cis olefin(750cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3550 and 3490cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester; CDCl3,300MHz)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation) | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(methyl ester; CDCl3,300MHz)[[Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508|{{RelationTable/GetFirstAuthor|Reference:Gardner:HW:Weisleder_D:Nelson_EC:,J. Org. Chem.,1984,49,508}}]]: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation) | ||
}} | }} | ||
Revision as of 09:04, 19 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8037 |
| LipidMaps | LMFA01080006 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18109MO03 |
| 12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid | |
|---|---|
| |
| Structural Information | |
| 12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid | |
| |
| Formula | C19H36O5 |
| Exact Mass | 344.256274262 |
| Average Mass | 344.48614000000003 |
| SMILES | CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner et al.: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3] |
| UV Spectra | |
| IR Spectra | Methyl ester(CS2) Gardner et al.: cis olefin(750cm-1), OH(3550 and 3490cm-1) |
| NMR Spectra | 1H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation) |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||
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