LBF18109MO02: Difference between revisions
No edit summary |
No edit summary |
||
(7 intermediate revisions by the same user not shown) | |||
Line 6: | Line 6: | ||
|LipidBank=DFA8034 | |LipidBank=DFA8034 | ||
|LipidMaps=LMFA01080003 | |LipidMaps=LMFA01080003 | ||
|SysName=12-Hydroxy-11,13- | |SysName=12-Hydroxy-11,13-dimethoxy-9-octadecenoic acid | ||
|Common Name=&&12-Hydroxy-11,13- | |Common Name=&&12-Hydroxy-11,13-dimethoxy-9-octadecenoic acid&& | ||
|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=329[M-CHOCH3(CH2)4CH3], 309[M-CH3(CH2)4-2CH3OH], 227[CHOCH3CH=CH(CH2)7COOCH3], 217[M-227](standard peak), 300[227+TMS], 115[CHOCH3(CH2)4CH3] | |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=329[M-CHOCH3(CH2)4CH3], 309[M-CH3(CH2)4-2CH3OH], 227[CHOCH3CH=CH(CH2)7COOCH3], 217[M-227](standard peak), 300[227+TMS], 115[CHOCH3(CH2)4CH3] | ||
|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}}]]: cis olefin(756cm | |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}}]]: cis olefin(756cm^{-1}), bonded OH(3460cm^{-1}), free OH(3555cm^{-1}) | ||
|NMR Spectra= | |NMR Spectra=^1 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(5.70ppm), C10(5.27ppm), C11(3.98ppm), C12(3.56ppm), C13(3.13ppm), OH(2.48ppm), C11OCH3(3.36ppm), C13OCH3(3.28ppm), J9-10=11.2Hz(cis unsaturation) | ||
|NOTE Spectra=ORD 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}}]] | |NOTE Spectra=ORD 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}}]] | ||
|Source=Oxidative products of 13-hydroperoxylinoleate in MeH[[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}}]] | |Source=Oxidative products of 13-hydroperoxylinoleate in MeH[[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}}]]. | ||
|Chemical Synthesis= | |Chemical Synthesis= | ||
|Metabolism= | |Metabolism= | ||
|Other Spectra=ORD 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}}]] | |||
}} | }} | ||
{{Lipid/Footer}} | {{Lipid/Footer}} |
Latest revision as of 21:00, 14 April 2010
LipidBank Top (トップ) |
Fatty acid (脂肪酸) |
Glycerolipid (グリセロ脂質) |
Sphingolipid (スフィンゴ脂質) |
Journals (雑誌一覧) |
How to edit (ページの書き方) |
IDs and Links | |
---|---|
LipidBank | DFA8034 |
LipidMaps | LMFA01080003 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18109MO02 |
12-Hydroxy-11,13-dimethoxy-9-octadecenoic acid | |
---|---|
Structural Information | |
12-Hydroxy-11,13-dimethoxy-9-octadecenoic acid | |
| |
Formula | C20H38O5 |
Exact Mass | 358.271924326 |
Average Mass | 358.51272 |
SMILES | C(CCC(C(C(OC)C=CCCCCCCCC(O)=O)O)OC)CC |
Physicochemical Information | |
Oxidative products of 13-hydroperoxylinoleate in MeH Gardner et al.. | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) Gardner et al.: m/e=329[M-CHOCH3(CH2)4CH3], 309[M-CH3(CH2)4-2CH3OH], 227[CHOCH3CH=CH(CH2)7COOCH3], 217[M-227](standard peak), 300[227+TMS], 115[CHOCH3(CH2)4CH3] |
UV Spectra | |
IR Spectra | Methyl ester(CS2) Gardner et al.: cis olefin(756cm-1), bonded OH(3460cm-1), free OH(3555cm-1) |
NMR Spectra | 1H-NMR(methyl ester;CDCl3,300MHz) Gardner et al.: C9(5.70ppm), C10(5.27ppm), C11(3.98ppm), C12(3.56ppm), C13(3.13ppm), OH(2.48ppm), C11OCH3(3.36ppm), C13OCH3(3.28ppm), J9-10=11.2Hz(cis unsaturation) |
Other Spectra | ORD analysis Gardner et al. |
Chromatograms |
Reported Metabolites, References | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|
|