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)<<8070>>: m/e=173[SMTO=CH(CH2)4CH3](standard peak), 240[M-173-OCH3]
|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)<<8070>>: 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>)
|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)<<8070>>: 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)
|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<<8070>>
|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 09:00, 12 December 2008


Upper classes: LB LBF



IDs and Links
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
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
Biospecies ID Compound Name Reference Comment
n.a. LBF18108MO01 See above. Gardner_HW et al. 1984
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