LBF20406HO22

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{{Metabolite
 
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|LipidBank=XPR6114
 
|LipidBank=XPR6114

Latest revision as of 09:00, 1 October 2008



Upper classes



LBF20406HO22.png
Structural Information
Systematic Name (R) , (Z,E,Z,Z) -8-Hydroxy-5,9,11,14-eicosatetraenoic acid
Common Name
Symbol
Formula C20H32O3
Exact Mass 320.23514489
Average Mass 320.46628
SMILES C(CC=CCC=CC=C[C@H](CC=CCCCC(O)=O)O)CCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index 8(S)-ISOMER METHYL ESTER ; [a]XD22=-4.75°(C=0.4, CHLOROFORM) <<1091>>
Solubility ETHYL ACETATE <<1092>>
Spectral Information
Mass Spectra METHYL ESTER, TMS ETHER ; m/e 265 <<1092>>. 8(S)-ISOMER METHYL ESTER TMS ETHER ; m/e 406, 391, 316, 265, 243 <<1091>>
UV Spectra METHYL ESTER ; l max = 235.8nm (e 28,000)<<1092>>
IR Spectra
NMR Spectra 8(S)-ISOMER METHYL ESTER ; 1H-NMR(CDCl3) : d 6.56(dd, J=14.5, 11.1Hz, 1H, 10-CH), 6.00(brt, J=11.1, 9.7Hz, 1H, 11-CH), 5.72(dd, J=7.3, 14.5Hz, 1H, 9-CH), 5.59-5.16(m, 5H), 4.23(q, 1H,8-CH), 3.71(s, 3H,OCH3), 2.95(t, 2H,13-CH), 2.35(t, 4H, 4,7-CH), 2.11(sextet, 4H), 1.73(pentet, 2H, 3-CH), 1.56(brs, S, 1H, OH), 1.32(m, 6H), 0.91(t, 3H, 20-CH) <<1091>>
Chromatograms




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