LBF18107HO03: Difference between revisions
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|LipidMaps=LMFA01050128 | |LipidMaps=LMFA01050128 | ||
|SysName=9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate | |SysName=9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate | ||
|Common Name=&&9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate&& | |||
|Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908}}]]: m/e=429[M-43], 355, 259[SMTO=CH-CH(CH2)7 COOCH3], 199[CH=CH-CH(OTMS)-(CH2)4CH3], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)[[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Terao_J:Matsushita_S:,Agric. Biol. Chem.,1975,39,2027|{{RelationTable/GetFirstAuthor|Reference:Terao_J:Matsushita_S:,Agric. Biol. Chem.,1975,39,2027}}]] | |Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BP:Garwood_RF:Weedon_BC:,Lipids,1977,12,908}}]]: m/e=429[M-43], 355, 259[SMTO=CH-CH(CH2)7 COOCH3], 199[CH=CH-CH(OTMS)-(CH2)4CH3], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)[[Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847|{{RelationTable/GetFirstAuthor|Reference:Streckert_G:Stan_HJ:,Lipids,1975,10,847}}]][[Reference:Terao_J:Matsushita_S:,Agric. Biol. Chem.,1975,39,2027|{{RelationTable/GetFirstAuthor|Reference:Terao_J:Matsushita_S:,Agric. Biol. Chem.,1975,39,2027}}]] | ||
|IR Spectra=Trans unsaturation(980cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), olefinic(3010cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3620-3500cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]] | |IR Spectra=Trans unsaturation(980cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), olefinic(3010cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), OH(3620-3500cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>)[[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]] | ||
|NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(90MHz,CDCl3): trans olefinic protons(5.6-6.22ppm), carbinol methine protons(4.12ppm), J11-12=12.1Hz(trans unsaturation) [[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]] | |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(90MHz,CDCl3): trans olefinic protons(5.6-6.22ppm), carbinol methine protons(4.12ppm), J11-12=12.1Hz(trans unsaturation) [[Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415|{{RelationTable/GetFirstAuthor|Reference:Neff_WE:Frankel_EN:Scholfield_CR:Wesleder_D:,Lipids,1978,13,415}}]] | ||
}} | }} | ||
Revision as of 08:12, 19 December 2008
| IDs and Links | |
|---|---|
| LipidBank | DFA8026 |
| LipidMaps | LMFA01050128 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18107HO03 |
| 9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate | |
|---|---|
| |
| Structural Information | |
| 9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate | |
| |
| Formula | C18H34O4 |
| Exact Mass | 314.24570957599997 |
| Average Mass | 314.46016 |
| SMILES | CCCCCC(O)C=CCC(O)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation) StreckertGet al. Neff_WE et al. Frankel_EN et al.: m/e=429[M-43], 355, 259[SMTO=CH-CH(CH2)7 COOCH3], 199[CH=CH-CH(OTMS)-(CH2)4CH3], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) StreckertGet al. TeraoJet al. |
| UV Spectra | |
| IR Spectra | Trans unsaturation(980cm-1), olefinic(3010cm-1), OH(3620-3500cm-1) Neff_WE et al. |
| NMR Spectra | 1H-NMR(90MHz,CDCl3): trans olefinic protons(5.6-6.22ppm), carbinol methine protons(4.12ppm), J11-12=12.1Hz(trans unsaturation) Neff_WE et al. |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||
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