LBF20306HO07: Difference between revisions

Revision as of 22:00, 26 July 2009

Upper classes: LB LBF

(R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid

Structural Information
	(R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid
	(R) , (Z,Z,Z) -12-Hydroxy-5,8,14-eicosatetraenoic acid

Formula	C20H34O3
Exact Mass	322.25079495399996
Average Mass	322.48216
SMILES	`C(CC=CC[C@H](CCC=CCC=CCCCC(O)=O)O)CCC`
Physicochemical Information





	ETHYL ACETATE Murphy_RC et al.






Spectral Information
Mass Spectra	METHYL ESTER TMS ETHER ; m/e 393, 319, 297 Murphy_RC et al.
UV Spectra
IR Spectra
NMR Spectra	METHYL ESTER ; ¹H-NMR(CDCL₃) : d 5.63-5.51(m, 1H), 5.47-5.28(m, 5H), 3.67(S, 3H), 3.67-3.57(m, 1H), 2.79(t, J=5.5Hz, 2H), 2.32(t, J=7.4Hz, 3H), 2.30-1.99(m, 6H), 1.76-1.39(m, 6H), 1.40-1.23(m, 6H), 0.88(t, J=6.8Hz, 3H) Shin_DS et al.
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF20306HO07	See above.	Murphy_RC et al. 1988
n.a.	LBF20306HO07	See above.	Shin_DS et al. 1989

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 |NMR Spectra=METHYL ESTER ; <SUP><FONT SIZE=-1>1</FONT></SUP>H-NMR(CDCL<SUB><FONT SIZE=-1>3</FONT></SUB>) : <FONT FACE=""Symbol"">d</FONT> 5.63-5.51(m, 1H), 5.47-5.28(m, 5H), 3.67(S, 3H), 3.67-3.57(m, 1H), 2.79(t, J=5.5Hz, 2H), 2.32(t, J=7.4Hz, 3H), 2.30-1.99(m, 6H), 1.76-1.39(m, 6H), 1.40-1.23(m, 6H), 0.88(t, J=6.8Hz, 3H) [[Reference:Shin_DS:Yadagiri_P:Falck_JR:Masferrer_JL:Schwartzman_ML:,Tetrah. Lett.,1989,30,3923|{{RelationTable/GetFirstAuthor|Reference:Shin_DS:Yadagiri_P:Falck_JR:Masferrer_JL:Schwartzman_ML:,Tetrah. Lett.,1989,30,3923}}]]
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