LBF18109HO05: Difference between revisions

Revision as of 09:00, 19 December 2008

Upper classes: LB LBF

11,12,13-Trihydroxy-9-Octadecenoic Acid

Structural Information
	11,12,13-Trihydroxy-9-Octadecenoic Acid
	11,12,13-Trihydroxy-9-Octadecenoic Acid

Formula	C18H34O5
Exact Mass	330.240624198
Average Mass	330.45956
SMILES	`CCCCCC(O)C(O)C(O)C=CCCCCCCCC(O)=O`
Physicochemical Information












Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al.: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173]
UV Spectra
IR Spectra	Methyl ester(CS2): cis olefin(758cm^-¹), bonded OH(3400-3240cm^-¹) Gardner_HW et al.
NMR Spectra	¹H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm) Gardner_HW et al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF18109HO05	See above.	Gardner_HW et al. 1984

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01050130
 |SysName=11,12,13-Trihydroxy-9-Octadecenoic Acid
+|Common Name=&&11,12,13-Trihydroxy-9-Octadecenoic Acid&&
 |Mass Spectra=GC-EI-MS(after methanolysis and trimethylsilylation)[[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]]: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173]
 |IR Spectra=Methyl ester(CS2): cis olefin(758cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>), bonded OH(3400-3240cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>) [[Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87|{{RelationTable/GetFirstAuthor|Reference:Gardner_HW:Nelson_EC:Tjarks_LW:England_RE:,Chem. Phys. Lipids,1984,35,87}}]]