LBF18203HP02: Difference between revisions
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|LipidMaps=LMFA01040042 | |LipidMaps=LMFA01040042 | ||
|SysName=Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate | |SysName=Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate | ||
|Common Name=&&Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-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]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], 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}}]] | |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]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], 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}}]] | ||
|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}}]] | |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(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm [[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(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm [[Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Weisleder_D:,Lipids,1982,17,780}}]] | ||
}} | }} |
Revision as of 00:01, 20 December 2008
IDs and Links | |
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LipidBank | DFA8058 |
LipidMaps | LMFA01040042 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18203HP02 |
Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate | |
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Structural Information | |
Methyl-10,12-Epidioxy-13-Hydroperoxy-8,15-Octadecadienoate | |
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Formula | C19H32O6 |
Exact Mass | 356.219888756 |
Average Mass | 356.45378 |
SMILES | C(O1)(CC(C=CCCCCCCC(=O)OC)O1)C(OO)CC=CCC |
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]; 241[M-171]; 171[SMTO=CHCH2CH=CHCH2CH3], GC-EI-MS(after reduction, hydrogenation, and tms-derivatization) Neff_WE et al. |
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(105): C17[terminal methyl group attached ton the vinyl group]: 1.78ppm Neff_WE et al. |
Other Spectra | |
Chromatograms |
Reported Metabolites, References | ||||||||||||||||||||
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