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FUR-186 / MeF(9,5) / 11-Methyl-10,13-epoxyoctadeca-10,12-dienoic acid ME |
Names: 9-(3-Methyl-5-pentylfuran-2-yl)nonanoic acid methyl ester; 9-(3-Methyl-5-pentyl-2-furyl)nonanoic acid methyl ester; 11-Methyl-10,13-epoxyoctadeca-10,12-dienoic acid methyl ester; 10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid methyl ester
Formula: C20H34O3
Molar mass: 322.487 Da
Monoisotopic mass: 322.251 Da
SMILES: CCCCCC1=CC(C)=C(CCCCCCCCC(OC)=O)O1
InChI Key: UPFFOYWRLISZHP-UHFFFAOYSA-N
InChI: 1S/C20H34O3/c1-4-5-10-13-18-16-17(2)19(23-18)14-11-8-6-7-9-12-15-20(21)22-3/h16H,4-15H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 20.886
- ECL on Wax: 20.539
- ECL on DB225: 20.249
- ECL on 5% phenyl: 18.814
- ECL on SLB-IL61: 20.617
- ECL on SLB-IL82: 22.019
- ECL on SLB-IL100: 22.517
- KI on Wax: 2682
- KI on DB225: 2625
- KI on 5% phenyl: 2209
Names: 9-(3-Methyl-5-pentylfuran-2-yl)nonanoic acid; 9-(3-Methyl-5-pentyl-2-furyl)nonanoic acid; 11-Methyl-10,13-epoxyoctadeca-10,12-dienoic acid; 10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid
Formula: C19H32O3
Molar mass: 308.460 Da
SMILES: CCCCCc1oc(CCCCCCCCC(O)=O)c(C)c1
InChI Key: TUQVXFOSXOCQCM-UHFFFAOYSA-N
InChI: 1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
Lipid Maps code: LMFA01150005
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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. |