LBF18109MO03: Difference between revisions

Revision as of 13:00, 26 July 2009

Upper classes: LB LBF

12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid

Structural Information
	12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid
	12,13-Dihydroxy-11-Methoxy-9-Octadecenoic Acid

Formula	C19H36O5
Exact Mass	344.256274262
Average Mass	344.48614000000003
SMILES	`CCCCCC(O)C(O)C(OC)C=CCCCCCCCC(O)=O`
Physicochemical Information












Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Gardner et al.: m/e=227[CHOCH3CH=CH(CH2)7COOCH3], 300[227+TMS], 275[M-227], 185[275-HOTMS], 173[SMTO=CH(CH2)4CH3]
UV Spectra
IR Spectra	Methyl ester(CS2) Gardner et al.: cis olefin(750cm^-¹), OH(3550 and 3490cm^-¹)
NMR Spectra	¹H-NMR(methyl ester; CDCl3,300MHz) Gardner et al.: C9(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF18109MO03	See above.	Gardner_HW et al. 1984

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 |NMR Spectra=<SUP><FONT SIZE=-1>1</FONT></SUP>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(5.74ppm), C10(5.37ppm), C11(4.11ppm), C12(3.62ppm), C13(3.45ppm), C11OCH3(3.27ppm), C12OH(2.39ppm), C13OH(2.70ppm), J9-10=11.2Hz(cis unsaturation)
 }}
+{{Lipid/Footer}}