LBF18203HP03: Difference between revisions

Revision as of 09:01, 20 December 2008

Upper classes: LB LBF

Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate

Structural Information
	Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate
	Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate

Formula	C19H32O6
Exact Mass	356.219888756
Average Mass	356.45378
SMILES	`C(O1)(CC(C=CC)O1)C(OO)CC=CCCCCCCCC(=O)OC`
Physicochemical Information












Spectral Information
Mass Spectra	GC-EI-MS(after reduction(PH3P) and TMS-derivatization) Neff_WE et al.: m/e=307[M-CH3- HOTMS]; 299[SMTO=CHCH2CH=CH(CH2)7COOCH3]; 113[M-299]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization) Neff_WE et al.: m/e=457[M-CH3-HOTMS]
UV Spectra
IR Spectra	OOH GROUP: 3660-3150cm^-¹[bonded], 3520cm^-¹[free]; olefinic protons: 3020-3002cm^-¹; isolated trans unsaturation: 960cm^-¹ Neff_WE et al.
NMR Spectra	¹H-NMR Neff_WE et al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference
n.a.	LBF18203HP03	See above.	Frankel_EN 1984
n.a.	LBF18203HP03	See above.	Fujimoto_K et al. 1984
n.a.	LBF18203HP03	See above.	Neff_WE et al. 1982

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01040043
 |SysName=Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate
+|Common Name=&&Methyl-13,15-Epidioxy-12-Hydroperoxy-9,16-Octadecadienoate&&
 |Mass Spectra=GC-EI-MS(after reduction(PH3P) and TMS-derivatization)[[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=307[M-CH3- HOTMS]; 299[SMTO=CHCH2CH=CH(CH2)7COOCH3]; 113[M-299]; GC-EI-MS(after reduction, hydrogenation and TMS-derivatization)[[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=457[M-CH3-HOTMS]
 |IR Spectra=OOH GROUP: 3660-3150cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[bonded], 3520cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[free]; olefinic protons: 3020-3002cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; isolated trans unsaturation: 960cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
 |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR[[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]]
 }}