LBF18109MO02: Difference between revisions

Revision as of 13:00, 26 July 2009

Upper classes: LB LBF

12-Hydroxy-11,13-Dimethoxy-9-Octadecenoic Acid

Structural Information
	12-Hydroxy-11,13-Dimethoxy-9-Octadecenoic Acid
	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












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
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF18109MO02	See above.	Gardner_HW et al. 1984

@@ Line 1: / Line 1: @@
 {{Hierarchy|{{PAGENAME}}}}
+{{Lipid/Header}}
 {{Metabolite
@@ Line 11: / Line 13: @@
 |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}}]]
 }}
+{{Lipid/Footer}}