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FUR-190 / MeF(11,5) / 13-Methyl-12,15-epoxyeicosa-12,14-dienoic acid ME |
Names: 11-(3-Methyl-5-pentylfuran-2-yl)undecanoic acid methyl ester; 11-(3-Methyl-5-pentyl-2-furyl)undecanoic acid methyl ester; 13-Methyl-12,15-epoxyeicosa-12,14-dienoic acid methyl ester; 12,15-Epoxy-13-methyleicosa-12,14-dienoic acid methyl ester
Formula: C22H38O3
Molar mass: 350.540 Da
Monoisotopic mass: 350.282 Da
SMILES: CCCCCC1=CC(C)=C(CCCCCCCCCCC(OC)=O)O1
InChI Key: BBPWHHVORNHXIM-UHFFFAOYSA-N
InChI: 1S/C22H38O3/c1-4-5-12-15-20-18-19(2)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24-3/h18H,4-17H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 22.907
- ECL on Wax: 22.553
- ECL on DB225: 22.280
- ECL on 5% phenyl: 20.805
- ECL on SLB-IL61: 22.689
- ECL on SLB-IL82: 24.122
- ECL on SLB-IL100: 24.625
- KI on Wax: 2889
- KI on DB225: 2837
- KI on 5% phenyl: 2410
Names: 11-(3-Methyl-5-pentylfuran-2-yl)undecanoic acid; 11-(3-Methyl-5-pentyl-2-furyl)undecanoic acid; 13-Methyl-12,15-epoxyeicosa-12,14-dienoic acid; 12,15-Epoxy-13-methyleicosa-12,14-dienoic acid
Formula: C21H36O3
Molar mass: 336.514 Da
SMILES: CCCCCc1oc(CCCCCCCCCCC(O)=O)c(C)c1
InChI Key: QDTBMEGPXZUECM-UHFFFAOYSA-N
InChI: 1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
Lipid Maps code: LMFA01150013
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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. |