LBGTGccc:18207HO03:18206SC05:18206SC05

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Glyceryl-1 (3) - (13'-hydroperoxy-9',11'-octadecadienoyl) -2,3 (1,2) -dilinoleate
LBGTGccc:18207HO03:18206SC05:18206SC05.png
Structural Information
Glyceryl-1 (3) - (13'-hydroperoxy-9',11'-octadecadienoyl) -2,3 (1,2) -dilinoleate
  • Glyceryl-1 (3) - (13'-hydroperoxy-9',11'-octadecadienoyl) -2,3 (1,2) -dilinoleate
Formula C59H98O8
Exact Mass 934.726170112
Average Mass 935.4046199999999
SMILES C(COC(=O)CCCCCCCC=CCC=CCC=CCC)C(CCOC(CCCCCCCC=CC=CC(OO)CCCCC)=O)OC(=O)CCCCCCCC=CCC=CCC=CCC
Physicochemical Information
Spectral Information
Mass Spectra GC-EI-MS(After hydrolysis, hydrogenation, methylation, and silylation) <<5177/5178>> GC-EI-MS (After hydrogenation, transmethylation, and silylation) <<5177/5178/5179/5180>>,
UV Spectra Conjugated diene: λ Max = 232-233 NM ε = 24554(in MeOH) ε = 21000(in Hexane)
IR Spectra Free C-OOH: 3450-3446 CM-1 Bonded C-OOH: 3550,3200 CM-1 Olefinic H: 3007 CM-1 Conjugated C,T and T,T Diene: 987-990,950 CM-1
NMR Spectra 1H-NMR OOH(1H): 7.92 PPM CH=CH-CH=CH(4H): 5.45-6.56 PPM CH(Bonded OOH): 4.35 PPM C=C-CH2-C=C(4H): 2.76 PPM CH2-C=C(10H): 2.1-2.2 PPM 13C-NMR C=C-C=C: 127.4-136.3 PPM C-OOH: 86.4 PPM <<5177>>,
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBGTGccc:18207HO03:18206SC05:18206SC05 See above. Neff et al. 1990
n.a. LBGTGccc:18207HO03:18206SC05:18206SC05 See above. Park_DK et al. 1981
n.a. LBGTGccc:18207HO03:18206SC05:18206SC05 See above. Terao_J et al. 1981