LBF18108MO01: Difference between revisions
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|LipidMaps=LMFA01080005 | |LipidMaps=LMFA01080005 | ||
|SysName=13-Hydroxy-9,12-Dimethoxy-10-Octadecenoic Acid | |SysName=13-Hydroxy-9,12-Dimethoxy-10-Octadecenoic Acid | ||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation) | |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=173[SMTO=CH(CH2)4CH3](standard peak), 240[M-173-OCH3] | ||
|IR Spectra=Methyl ester(CS2) | |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}}]]: trans olefin(975cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3570 and 3460cm<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) | |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(3.54-3.55ppm), C10(5.49-5.56ppm), C11(5.40-5.58ppm), C12(3.35-3.52ppm), C13(3.46-3.71ppm), C12OCH3(3.28-3.31ppm), C9OCH3(3.25-3.27ppm), J10-11=15.7Hz(trans unsaturation) | ||
|NOTE Spectra=ODR analysis | |NOTE Spectra=ODR analysis[[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}}]] | ||
}} | }} |
Revision as of 00:00, 12 December 2008
IDs and Links | |
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LipidBank | DFA8036 |
LipidMaps | LMFA01080005 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18108MO01 |
GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer | |
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Structural Information | |
13-Hydroxy-9,12-Dimethoxy-10-Octadecenoic Acid | |
Formula | C20H38O5 |
Exact Mass | 358.271924326 |
Average Mass | 358.51272 |
SMILES | C(C(OC)C=CC(OC)CCCCCCCC(O)=O)(O)CCCCC |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner et al.: m/e=173[SMTO=CH(CH2)4CH3](standard peak), 240[M-173-OCH3] |
UV Spectra | |
IR Spectra | Methyl ester(CS2) Gardner et al.: trans olefin(975cm-1), OH(3570 and 3460cm-1) |
NMR Spectra | 1H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(3.54-3.55ppm), C10(5.49-5.56ppm), C11(5.40-5.58ppm), C12(3.35-3.52ppm), C13(3.46-3.71ppm), C12OCH3(3.28-3.31ppm), C9OCH3(3.25-3.27ppm), J10-11=15.7Hz(trans unsaturation) |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||
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