LBF18207HP02

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

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Upper classes: LB LBF

IDs and Links
LipidBank	DFA8049
LipidMaps	LMFA01040037
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18207HP02

Methyl-13-butyl-peroxy-9,11-octadecadienoic acid
Structural Information
Systematic Name	Methyl-13-butyl-peroxy-9,11-octadecadienoic acid
Common Name	Methyl-13-butyl-peroxy-9,11-octadecadienoic acid
Symbol
Formula	C23H42O4
Exact Mass	382.30830983199996
Average Mass	382.57718
SMILES	C(C)CCCC(OOC(C)(C)C)C=CC=CCCCCCCCC(=O)OC
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	A degradation product of 13-hydroperoxymethyllinoleate in the presence of di-tert-butyl peroxyoxalate Schieberle_P et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(hydrogenation with palladium-charcoal) SchieberlePet al.
UV Spectra	λ ether/max=234nm SchieberlePet al.
IR Spectra	Ester carbonyl(1740cm-1), trans, trans diene(991cm-1) SchieberlePet al.
NMR Spectra	1H-NMR SchieberlePet al.: C9-C12(5.5-6.1ppm), C13(4.1ppm), C8(2.1ppm)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18207HP02 See above. Schieberle_P et al. 1981