LBF20406HO21

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Upper classes: LB LBF



GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
LBF20406HO21.png
Structural Information
12 (S) -Hydoxy-5,8,10,14- (Z,E,Z,Z) -eicosatetraenoic acid
Formula C20H32O3
Exact Mass 320.23514489
Average Mass 320.46628
SMILES C(CC=CC[C@@H](C=CC=CCC=CCCCC(O)=O)O)CCC
Physicochemical Information
DIETHYL ETHER , ACETONE , BENZENE <<1083>>
Spectral Information
Mass Spectra METHYL ESTER ; m/e 316, 303, 223, 191, 141, 107(base peak) <<1084>>
UV Spectra METHYL ESTER ; l MeOHmax = 234nm <<1084>>METHYL ESTER ; l EtOHmax = 237nm(e 30500) <<1081>>
IR Spectra NEAT : n 3480b, 1710, 1460, 1400cm-1 <<1083>>
NMR Spectra 1H-NMR(250MHz, ACETONE-D6) ; d 6.58(dd, J=15.3, 11.0Hz, 1H, 10-CH), 5.97(t, J=11.0Hz, 1H, 9-CH), 5.72(dd, J=15.3, 6.2 Hz, 1H, 11-CH), 5.29(m, 5H, 5,6,8,14,15-CH), 4.16(q, J=6.3Hz, 1H, 12-CH), 2.94(t, J=6.1Hz, 2H, 7-CH), 2.27(t,J= 7.4Hz, 2H,2-CH), 2.22(m, 2H, 13-CH), 1.66 and 2.14(m, 2H, 4-and 16-CH), 0.87(t, J=6.3Hz, 3H, 20-CH) <<1083>>. 13NMR(C6D6) : 174.3, 137.77, 132.02, 129.98, 129.62, 128.88, 128.69, 125.96, 124.44 <<1083>>
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF20406HO21 See above. Corey_EJ et al. 1978
n.a. LBF20406HO21 See above. Hamberg_M et al. 1974
n.a. LBF20406HO21 See above. Just_G et al. 1986
n.a. LBF20406HO21 See above. Leblanc_Y et al. 1986
n.a. LBF20406HO21 See above. Yamamoto_S et al. 1997
n.a. LBF20406HO21 See above. Yoshimoto_T et al. 1995