LBF18207HP03

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Upper classes



LBF18207HP03.png
Structural Information
Systematic Name Methyl-13,15-Epidioxy-16-Hydroperoxy-9,11-Octadecadienoate
Common Name
Symbol
Formula C19H32O6
Exact Mass 356.219888756
Average Mass 356.45378
SMILES C(O1)(CC(C=CC=CCCCCCCCC(=O)OC)O1)C(CC)OO
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)<<8081>>: m/e=397[M-CH3], 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction(NaBH4 or KI) and TMS-derivatization)<<8077>>: m/e=311[SMTO=CH-CH=CH-CH=CH-(CH2)7COOCH3]; 131[SMTO=CHCH2CH3]
UV Spectra Conjugated cis, trans diene: lmax=234-237nm, conjugated trans, trans diene: lmax=231-234nm <<8078/8081/8083/8084/8088>>
IR Spectra OOH group: 3720-3140cm-1[bonded], 3530-3520cm-1[FREE]; olefinic protons: 3020-3000cm-1; conjugated cis, trans diene : 989-980cm-1, 955-947cm-1; conjugatedtrans, trans diene: 992-984cm-1, 955cm-1<<8078/8081/8083/8084/8085/8088>>
NMR Spectra 1H-NMR<<8081/8083/8084/8088>>: C9: 5.46-5.78; C10: 5.99-6.05; C11: 6.26-6.67; C12: 5.53- 5.62; C13: 4.75-4.84; C14: 2.23-2.47, 2.79-2.88; C15: 4.47-4.49; C16: 3.86-4.15; OOH: 8.98-9.55ppm; J9-15=10.0-11.0[cis]; J9-10=15.1-15.5[trans]; J11-12=14.5-15.4Hz[trans]
Chromatograms




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