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FUR-187 / MeF(11,3) / 13-Methyl-12,15-epoxyoctadeca-12,14-dienoic acid ME |
Names: 11-(3-methyl-5-propylfuran-2-yl)undecanoic acid methyl ester; 11-(3-Methyl-5-propyl-2-furyl)undecanoic acid methyl ester; 13-Methyl-12,15-epoxyoctadeca-12,14-dienoic acid methyl ester; 12,15-Epoxy-13-methyloctadeca-12,14-dienoic acid methyl ester
Formula: C20H34O3
Molar mass: 322.487 Da
Monoisotopic mass: 322.251 Da
SMILES: CCCC1=CC(C)=C(CCCCCCCCCCC(OC)=O)O1
InChI Key: LYIVORHFIAMLAH-UHFFFAOYSA-N
InChI: 1S/C20H34O3/c1-4-13-18-16-17(2)19(23-18)14-11-9-7-5-6-8-10-12-15-20(21)22-3/h16H,4-15H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 21.161
- ECL on Wax: 20.808
- ECL on DB225: 20.734
- ECL on 5% phenyl: 19.009
- KI on Wax: 2710
- KI on DB225: 2676
- KI on 5% phenyl: 2229
Names: 11-(3-methyl-5-propylfuran-2-yl)undecanoic acid; 11-(3-Methyl-5-propyl-2-furyl)undecanoic acid; 13-Methyl-12,15-epoxyoctadeca-12,14-dienoic acid; 12,15-Epoxy-13-methyloctadeca-12,14-dienoic acid
Formula: C19H32O3
Molar mass: 308.460 Da
SMILES: CCCc1oc(CCCCCCCCCCC(O)=O)c(C)c1
InChI Key: XZOBJEOEOJXQBF-UHFFFAOYSA-N
InChI: 1S/C19H32O3/c1-3-12-17-15-16(2)18(22-17)13-10-8-6-4-5-7-9-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
Lipid Maps code: LMFA01150018
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |