LBF16102PG01

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Upper classes: LB LBF



Methyl-8- [ 2- (2-formylvinyl) -3-hydroxy-5-oxocyclopentyl ] octanic acid
LBF16102PG01.png
Structural Information
Systematic Name Methyl-8- [ 2- (2-formylvinyl) -3-hydroxy-5-oxocyclopentyl ] octanic acid
Common Name
  • Methyl-8- [ 2- (2-formylvinyl) -3-hydroxy-5-oxocyclopentyl ] octanic acid
Symbol
Formula C17H26O5
Exact Mass 310.178023942
Average Mass 310.38534
SMILES O=CC=CC(C(O)1)C(CCCCCCCC(=O)OC)C(=O)C1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source It is prodused from 12-hydroperoxy isomer via PGG-like endoperoxide during autooxidation of linoleate Nakamura_T .
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra GC-EI-MS(after reduction(NaBH4) and TMS-derivatization) NakamuraT: m/e=530[M]; 515[M-CH3]; 440[M-HOTMS]; 425[440-CH3]; 399[515-SMTO=CHCH2]; 324[440-SMTO= CHCH2]; 311[M-SMTOC3H5OTMS]; 243[SMTOC5H5OTMS]; 217[EMTOC3H3OTMS]; 191[SMT OCHOTMS]; 167[C6H6OTMS]
UV Spectra
IR Spectra Keto carbonyl: 1740cm-1[the peak corresponded with ester carbonyl] conjugated aldehyde: 1688cm-1 NakamuraT
NMR Spectra
Other Spectra
Chromatograms
Reported Metabolites, References
Biospecies ID Compound Name Reference Comment
n.a. LBF16102PG01 See above. Nakamura_T 1986


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