LBF18110HP01

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Upper classes



LBF18110HP01.png
Structural Information
Systematic Name Methyl-10,12,13,15-Bisepidioxy-16-Hydroperoxy-8-Octadecenoate
Common Name
Symbol
Formula C19H32O8
Exact Mass 388.20971799999995
Average Mass 388.45258
SMILES C(O1)(C(CC)OO)CC(C(O2)CC(C=CCCCCCCC(=O)OC)O2)O1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(after reduction(PH3P) and TMS-derivatization)(105): m/e=313[M-131]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction,hydrogenation, and TMS-derivatization)<<8084>>: m/e=349[SMTO=CHCH2CH(OTMS)CH(OTMS)CH2CH3]; 273[SMTO=CH(CH2)8COOCH3]
UV Spectra
IR Spectra OOH group: 3700-3150cm-1[bonded], 3530cm-1[free]; isolated trans unsaturation: 960cm-1<<8084>>
NMR Spectra 1H-NMR<<8084>>: C2: 2.3ppm; C8: 5.35ppm; C9: 5.88ppm; C10, 12, 13, 15: 4.47ppm; C11, 14: 2.1-2.8ppm; C16: 3.88ppm[C15-16 erythro], 4.17ppm[C15-16 threo]; C18: 1.05ppm; OOH: 8.73ppm[C15-16 erythro], 9.20ppm[C15-16 threo] <<8084>>
Chromatograms




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