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FUR-191 / DiMeF(11,5) / 13,14-Dimethyl-12,15-epoxyeicosa-12,14-dienoic acid ME |
Names: 11-(3,4-Dimethyl-5-pentylfuran-2-yl)undecanoic acid methyl ester; 11-(3,4-Dimethyl-5-pentyl-2-furyl)undecanoic acid methyl ester; 13,14-Dimethyl-12,15-epoxyicosa-12,14-dienoic acid methyl ester; 12,15-Epoxy-13,14-dimethylicosa-12,14-dienoic acid methyl ester; 13,14-Dimethyl-12,15-epoxyeicosa-12,14-dienoic acid methyl ester; 12,15-Epoxy-13,14-dimethyleicosa-12,14-dienoic acid methyl ester
Formula: C23H40O3
Molar mass: 364.567 Da
Monoisotopic mass: 364.298 Da
SMILES: CCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(OC)=O)O1
InChI Key: RFRVAUMNCAWBEI-UHFFFAOYSA-N
InChI: 1S/C23H40O3/c1-5-6-13-16-21-19(2)20(3)22(26-21)17-14-11-9-7-8-10-12-15-18-23(24)25-4/h5-18H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 23.496
- ECL on Wax: 23.176
- ECL on DB225: 23.023
- ECL on 5% phenyl: 21.564
- ECL on SLB-IL61: 23.290
- ECL on SLB-IL82: 24.704
- ECL on SLB-IL100: 25.529
- KI on Wax: 2954
- KI on DB225: 2915
- KI on 5% phenyl: 2486
Names: 11-(3,4-Dimethyl-5-pentylfuran-2-yl)undecanoic acid; 11-(3,4-Dimethyl-5-pentyl-2-furyl)undecanoic acid; 13,14-Dimethyl-12,15-epoxyicosa-12,14-dienoic acid; 12,15-Epoxy-13,14-dimethylicosa-12,14-dienoic acid; 13,14-Dimethyl-12,15-epoxyeicosa-12,14-dienoic acid; 12,15-Epoxy-13,14-dimethyleicosa-12,14-dienoic acid
Formula: C22H38O3
Molar mass: 350.540 Da
SMILES: CCCCCc1oc(CCCCCCCCCCC(O)=O)c(C)c1C
InChI Key: MCTXSZNBSIMKTO-UHFFFAOYSA-N
InChI: 1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
Lipid Maps code: LMFA01150002
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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. |