LBF18107HO03

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8026
LipidMaps	LMFA01050128
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107HO03

9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate
Structural Information
Systematic Name	9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate
Common Name	9,13-Dihydroxy-11-Octadecenoic Acid/9,13-Dihydroxy-11-Octadecenoate
Symbol
Formula	C18H34O4
Exact Mass	314.24570957599997
Average Mass	314.46016
SMILES	CCCCCC(O)C=CCC(O)CCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) StreckertGet al. Neff_WE et al. Frankel_EN et al.: m/e=429[M-43], 355, 259[SMTO=CH-CH(CH2)7 COOCH3], 199[CH=CH-CH(OTMS)-(CH2)4CH3], 173[SMTO=CH-(CH2)4CH3], GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) StreckertGet al. TeraoJet al.
UV Spectra
IR Spectra	Trans unsaturation(980cm-1), olefinic(3010cm-1), OH(3620-3500cm-1) Neff_WE et al.
NMR Spectra	1H-NMR(90MHz,CDCl3): trans olefinic protons(5.6-6.22ppm), carbinol methine protons(4.12ppm), J11-12=12.1Hz(trans unsaturation) Neff_WE et al.
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18107HO03 See above. Frankel_EN 1980 n.a. LBF18107HO03 See above. Frankel_EN et al. 1977 n.a. LBF18107HO03 See above. Neff_WE et al. 1978 n.a. LBF18107HO03 See above. Streckert_G et al. 1975 n.a. LBF18107HO03 See above. Terao_J et al. 1975