Difference between revisions of "LBF18303HP01"

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|LipidMaps=LMFA01040013
 
|LipidMaps=LMFA01040013
 
|SysName=9-Hydroperoxy-10,12,15-Octadecatrienoic Acid/9-Hydroperoxy-10,12,15-Octadecatrienoate
 
|SysName=9-Hydroperoxy-10,12,15-Octadecatrienoic Acid/9-Hydroperoxy-10,12,15-Octadecatrienoate
|Mass Spectra=EI-MS(Me-ester; after reduction and hydrogenation)<<8020/8076>>: m/e=187[O=CH(CH2)7C(=OH)OCH3]; 158[CH2(CH2)6C(=OH)OCH3]; 155[O=CH(CH2)7C=O], GC-EI-MS(Me-ester; after reduction and TMS)<<8090/8077>>: m/e=380[M]; 365[M-CH3]; 223[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-CH2CH3]
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|Mass Spectra=EI-MS(Me-ester; after 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:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]]: m/e=187[O=CH(CH2)7C(=OH)OCH3]; 158[CH2(CH2)6C(=OH)OCH3]; 155[O=CH(CH2)7C=O], GC-EI-MS(Me-ester; after reduction and TMS)[[Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234|{{RelationTable/GetFirstAuthor|Reference:Terao_J:Matsushita_S:,J. Am. Oil Chem. Soc.,1977,54,234}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]]: m/e=380[M]; 365[M-CH3]; 223[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-CH2CH3]
|UV Spectra=(Me-ester; after reduction; in etoh)<<8076>>, trans, cis, cis isomer: <FONT FACE="Symbol">l</FONT>max=236nm trans, trans, cis isomer: <FONT FACE="Symbol">l</FONT>max=232nm
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|UV Spectra=(Me-ester; after reduction; in etoh)[[Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]], trans, cis, cis isomer: <FONT FACE="Symbol">l</FONT>max=236nm trans, trans, cis isomer: <FONT FACE="Symbol">l</FONT>max=232nm
|IR Spectra=(Me-ester; after reduction)<<8076/8077>>, trans, cis, cis isomer:9 88-983 AND 951-945cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; trans, trans, cis isomer: 992-983cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> (Me-ester)<<8078>>, OOH group: 3400cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>
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|IR Spectra=(Me-ester; after reduction)[[Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837|{{RelationTable/GetFirstAuthor|Reference:Chan_HWS:Levett_G:,Lipids,1977,12,837}}]][[Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055|{{RelationTable/GetFirstAuthor|Reference:Frankel_EN:Neff_WE:Rohwedder_WK:Khambay_BPS:Garwood_RF:Weedon_BCL:,Lipids,1977,12,1055}}]], trans, cis, cis isomer:9 88-983 AND 951-945cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>; trans, trans, cis isomer: 992-983cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP> (Me-ester)[[Reference:Toyoda_I:Terao_J:Matsushita_S:,Lipids,1982,17,84|{{RelationTable/GetFirstAuthor|Reference:Toyoda_I:Terao_J:Matsushita_S:,Lipids,1982,17,84}}]], OOH group: 3400cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>
 
}}
 
}}

Revision as of 09:00, 12 December 2008


Upper classes: LB LBF



LBF18303HP01.png
Structural Information
Systematic Name 9-Hydroperoxy-10,12,15-Octadecatrienoic Acid/9-Hydroperoxy-10,12,15-Octadecatrienoate
Common Name
Symbol
Formula C18H30O4
Exact Mass 310.21440944799997
Average Mass 310.4284
SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra EI-MS(Me-ester; after reduction and hydrogenation) Chan_HWS Chan_HWS et al.: m/e=187[O=CH(CH2)7C(=OH)OCH3]; 158[CH2(CH2)6C(=OH)OCH3]; 155[O=CH(CH2)7C=O], GC-EI-MS(Me-ester; after reduction and TMS) TeraoJet al. Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 223[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-CH2CH3]
UV Spectra (Me-ester; after reduction; in etoh) Chan_HWS et al., trans, cis, cis isomer: lmax=236nm trans, trans, cis isomer: lmax=232nm
IR Spectra (Me-ester; after reduction) Chan_HWS et al. Frankel_EN et al., trans, cis, cis isomer:9 88-983 AND 951-945cm-1; trans, trans, cis isomer: 992-983cm-1 (Me-ester) ToyodaIet al., OOH group: 3400cm-1
NMR Spectra
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF18303HP01 See above. Chan_HWS 1977
n.a. LBF18303HP01 See above. Chan_HWS et al. 1982
n.a. LBF18303HP01 See above. Chan_HWS et al. 1977
n.a. LBF18303HP01 See above. Frankel_EN 1980
n.a. LBF18303HP01 See above. Frankel_EN 1983
n.a. LBF18303HP01 See above. Frankel_EN 1984
n.a. LBF18303HP01 See above. Frankel_EN et al. 1977
n.a. LBF18303HP01 See above. Fujimoto_K 1986
n.a. LBF18303HP01 See above. Fujimoto_K et al. 1984
n.a. LBF18303HP01 See above. Logani_MK et al. 1980
n.a. LBF18303HP01 See above. Sevanian_A et al. 1985
n.a. LBF18303HP01 See above. Terao_J et al. 1977
n.a. LBF18303HP01 See above. Zimmerman_DC et al. 1970
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