LBF18206EO01: Difference between revisions

Revision as of 00:01, 20 December 2008

Upper classes: LB LBF

Methyl-15,16-Epoxy-9,12-Octadecadienoate

Structural Information
	Methyl-15,16-Epoxy-9,12-Octadecadienoate
	Methyl-15,16-Epoxy-9,12-Octadecadienoate

Formula	C19H32O3
Exact Mass	308.23514489
Average Mass	308.45558
SMILES	`C(CC=CCC=CCCCCCCCC(=O)OC)(O1)C(CC)1`
Physicochemical Information












Spectral Information
Mass Spectra	GC-EI-MS Neff_WE et al.: m/e=308[M]; 279[CH-(O)-CHCH2CH=CHCH2CH=CH(CH2)7COOCH3]; 277[M -OCH3]; 251[279-28]; 71[CH3CH2CH-(O)-CH]; 43[71-28]; GC-EI-MS(after hydrogenation)(105): m/e=281[M-OCH3]; 255[CH-(O)-CH(CH2)13COOCH3-28]; 71[CH3CH2CH-(O)-CH]; 43[71-28]
UV Spectra
IR Spectra	Cis unsaturation: 3002cm^-¹ Neff_WE et al.
NMR Spectra	¹H-NMR Neff_WE et al.: cis unsaturationS: 5.43ppm[4H]; cis epoxide ring:2.79 AND 2.98ppm[2H]
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF18206EO01	See above.	Neff_WE et al. 1981
n.a.	LBF18206EO01	See above.	Neff_WE et al. 1982

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01070014
 |SysName=Methyl-15,16-Epoxy-9,12-Octadecadienoate
+|Common Name=&&Methyl-15,16-Epoxy-9,12-Octadecadienoate&&
 |Mass Spectra=GC-EI-MS[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]: m/e=308[M]; 279[CH-(O)-CHCH2CH=CHCH2CH=CH(CH2)7COOCH3]; 277[M -OCH3]; 251[279-28]; 71[CH3CH2CH-(O)-CH]; 43[71-28]; GC-EI-MS(after hydrogenation)(105): m/e=281[M-OCH3]; 255[CH-(O)-CH(CH2)13COOCH3-28]; 71[CH3CH2CH-(O)-CH]; 43[71-28]
 |IR Spectra=Cis unsaturation: 3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439}}]]
 |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1981,16,439}}]]: cis unsaturationS: 5.43ppm[4H]; cis epoxide ring:2.79 AND 2.98ppm[2H]
 }}