LBF18207HP01: Difference between revisions
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|LipidMaps=LMFA01040001 | |LipidMaps=LMFA01040001 | ||
|SysName=13- Hydroperoxy-9,11-Octadecadienoic Acid/13- Hydroperoxy-9,11-Octadecadienoate | |SysName=13- Hydroperoxy-9,11-Octadecadienoic Acid/13- Hydroperoxy-9,11-Octadecadienoate | ||
|Common Name=&&13- Hydroperoxy-9,11-Octadecadienoic Acid | |Common Name=&&13- Hydroperoxy-9,11-Octadecadienoic Acid&&13- Hydroperoxy-9,11-Octadecadienoate&& | ||
|Mass Spectra=GC-EI-MS(after methanolysis, reduction and trimethylsilylation) [[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}}]][[Reference:Kleiman_R:Spencer_GF:,J. Am. Oil Chem. Soc.,1973,50,31|{{RelationTable/GetFirstAuthor|Reference:Kleiman_R:Spencer_GF:,J. Am. Oil Chem. Soc.,1973,50,31}}]][[Reference:Frankel_EN:Neff_WE:Bessler_TR:,Lipids,1979,14,961|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Bessler_TR:,Lipids,1979,14,961}}]][[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Hamberg_M:,Lipids,1975,10,87|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:,Lipids,1975,10,87}}]]: m/e= 382[M], 292[M-HOTMS], 311[M-(CH2)4CH3] standard peak,225[M-(CH2)7COOCH3] / GC-EI-MS(after methylation, reduction and hydrogenation) [[Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100}}]][[Reference:Dolev_A:Rohwedder_WK:Dutton_HJ:,Lipids,1967,2,28|{{RelationTable/GetFirstAuthor|Reference:Dolev_A:Rohwedder_WK:Dutton_HJ:,Lipids,1967,2,28}}]][[Reference:Zimmerman_DC:Vick_BA:,Lipids,1970,5,392|{{RelationTable/GetFirstAuthor|Reference:Zimmerman_DC:Vick_BA:,Lipids,1970,5,392}}]]: m/e= 243[CH(OH)(CH2)11COOCH3], 214[(CH2)11COOCH3+H], 211[C(OH(CH2)11CO] | |Mass Spectra=GC-EI-MS(after methanolysis, reduction and trimethylsilylation) [[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}}]][[Reference:Kleiman_R:Spencer_GF:,J. Am. Oil Chem. Soc.,1973,50,31|{{RelationTable/GetFirstAuthor|Reference:Kleiman_R:Spencer_GF:,J. Am. Oil Chem. Soc.,1973,50,31}}]][[Reference:Frankel_EN:Neff_WE:Bessler_TR:,Lipids,1979,14,961|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Bessler_TR:,Lipids,1979,14,961}}]][[Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Kleiman_R:Weisleder_D:,Lipids,1974,9,696}}]][[Reference:Hamberg_M:,Lipids,1975,10,87|{{RelationTable/GetFirstAuthor|Reference:Hamberg_M:,Lipids,1975,10,87}}]]: m/e= 382[M], 292[M-HOTMS], 311[M-(CH2)4CH3] standard peak,225[M-(CH2)7COOCH3] / GC-EI-MS(after methylation, reduction and hydrogenation) [[Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:,J. Am. Oil Chem. Soc.,1977,54,100}}]][[Reference:Dolev_A:Rohwedder_WK:Dutton_HJ:,Lipids,1967,2,28|{{RelationTable/GetFirstAuthor|Reference:Dolev_A:Rohwedder_WK:Dutton_HJ:,Lipids,1967,2,28}}]][[Reference:Zimmerman_DC:Vick_BA:,Lipids,1970,5,392|{{RelationTable/GetFirstAuthor|Reference:Zimmerman_DC:Vick_BA:,Lipids,1970,5,392}}]]: m/e= 243[CH(OH)(CH2)11COOCH3], 214[(CH2)11COOCH3+H], 211[C(OH(CH2)11CO] | ||
|UV Spectra=Trans, cis isomer: <FONT FACE="Symbol">l</FONT> max= 236nm, <FONT FACE="Symbol">e</FONT>= 26000, trans, trans isomer: <FONT FACE="Symbol">l</FONT> max= 233nm, <FONT FACE="Symbol">e</FONT>=28600 (025/027/028/029/036) | |UV Spectra=Trans, cis isomer: <FONT FACE="Symbol">l</FONT> max= 236nm, <FONT FACE="Symbol">e</FONT>= 26000, trans, trans isomer: <FONT FACE="Symbol">l</FONT> max= 233nm, <FONT FACE="Symbol">e</FONT>=28600 (025/027/028/029/036) |
Revision as of 00:02, 20 December 2008
IDs and Links | |
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LipidBank | DFA8002 |
LipidMaps | LMFA01040001 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | {{{KNApSAcK}}} |
mol | LBF18207HP01 |
13- Hydroperoxy-9,11-Octadecadienoic Acid | |
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Structural Information | |
13- Hydroperoxy-9,11-Octadecadienoic Acid/13- Hydroperoxy-9,11-Octadecadienoate | |
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Formula | C18H32O4 |
Exact Mass | 312.23005951199997 |
Average Mass | 312.44428 |
SMILES | CCCCCC(OO)C=CC=CCCCCCCCC(O)=O |
Physicochemical Information | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis, reduction and trimethylsilylation) Frankel_EN et al. KleimanRet al. Frankel_EN et al. Gardner_HW et al. HambergM: m/e= 382[M], 292[M-HOTMS], 311[M-(CH2)4CH3] standard peak,225[M-(CH2)7COOCH3] / GC-EI-MS(after methylation, reduction and hydrogenation) Chan_HWS DolevAet al. Zimmerman_DC et al.: m/e= 243[CH(OH)(CH2)11COOCH3], 214[(CH2)11COOCH3+H], 211[C(OH(CH2)11CO] |
UV Spectra | Trans, cis isomer: l max= 236nm, e= 26000, trans, trans isomer: l max= 233nm, e=28600 (025/027/028/029/036) |
IR Spectra | Methyl ester Chan_HW et al. Cannon_JA et al. Privett_OS et al. Sephton_HH et al. Graveland_A_ Privett_OS et al. Gardner_HW et al.: cis, trans isomer: 986 and 949cm-1, trans, trans isomer: 989cm-1, OOH group: 3550cm-1 |
NMR Spectra | 1H-NMR Chan_HW et al. Frankel_EN et al.: C9-13 (5.45-6.53ppm), C13 (4.37ppm), J9-10= 11Hz (cis),J11-12=15Hz (trans) /1H-NMR (after methanolyzation and reduction ) Gardner_HW et al. Neff_WE et al.: cis, trans isomer : olefinic protons(5.91ppm), C8 (2.10ppm), C13(4.15ppm), trans, trans isomer: olefinic protons (5.41ppm), C8 (2.07ppm) |
Other Spectra | |
Chromatograms |