LBF20406HP02

From Metabolomics.JP
Jump to: navigation, search



Upper classes



LBF20406HP02.png
Structural Information
Systematic Name 8-Hydroperoxy-5,9,11,14-Eicosatetraenoic Acid/8-Hydroperoxy-5,9,11,14-Eicosatetraenoate
Common Name
Symbol
Formula C20H32O4
Exact Mass 336.23005951199997
Average Mass 336.46567999999996
SMILES C(CC=CCC=CC=CC(OO)CC=CCCCC(O)=O)CCC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra GC-EI-MS(Me-ester; after reduction and TMS)<<8080/8098/8116>>: m/e=406[M]; 316[M-HOTMS]; 65[SMTO=CHCH=CHCH=CHCH2CH=CH(CH2)4CH3]; GC-EI-MS(Me-ester; after reduction and TBDMS)(114): m/e=448[M], 391[M-(CH3)3C]; GC-EI-MS(Me-ester;after reduction, hydrogenation and TMS)
UV Spectra UV<<8099>> conjugated diene: lmax=235nm, UV(Me-ester)<<8098>> conjugated diene: lmax=232.5nm, UV(Me-ester; after reduction)<<8105>> conjugated trans, cis diene:lmax=236nm, conjugated trans, trans diene: lmax=232.5n
IR Spectra IR(me-ester; after reduction)<<8105>> conjugated trans, cis diene: 985, 950cm-1, conjugated trans, trans diene: 989cm-1; IR(Me-ester)<<8098>>: OOH group: 3400cm-1
NMR Spectra 1H-NMR(Me-ester)<<8098>>: OOH: 8.3ppm
Chromatograms




Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox