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FUR-185 / DiMeF(9,3) / 11,12-Dimethyl-10,13-epoxyhexadeca-10,12-dienoic acid ME |
Names: 9-(3,4-Dimethyl-5-propylfuran-2-yl)nonanoic acid methyl ester; 9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoic acid methyl ester; 11,12-Dimethyl-10,13-epoxyhexadeca-10,12-dienoic acid methyl ester; 10,13-epoxy-11-methylhexadeca-10,12-dienoic acid methyl ester
Formula: C19H32O3
Molar mass: 308.460 Da
Monoisotopic mass: 308.235 Da
SMILES: CCCC1=C(C)C(C)=C(CCCCCCCCC(OC)=O)O1
InChI Key: VQBQNZUUJQBVCO-UHFFFAOYSA-N
InChI: 1S/C19H32O3/c1-5-12-17-15(2)16(3)18(22-17)13-10-8-6-7-9-11-14-19(20)21-4/h5-14H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 19.898
- ECL on Wax: 19.567
- ECL on DB225: 19.300
- ECL on 5% phenyl: 17.873
- ECL on SLB-IL61: 19.549
- ECL on SLB-IL82: 20.983
- ECL on SLB-IL100: 21.532
- KI on Wax: 2582
- KI on DB225: 2526
- KI on 5% phenyl: 2115
Names: 9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoic acid; 9-(3,4-Dimethyl-5-propyl-2-furyl)nonanoic acid; 11,12-Dimethyl-10,13-epoxyhexadeca-10,12-dienoic acid; 10,13-epoxy-11-methylhexadeca-10,12-dienoic acid
Formula: C18H30O3
Molar mass: 294.433 Da
SMILES: CCCc1oc(CCCCCCCCC(O)=O)c(C)c1C
InChI Key: NMZGYZMOQZXEOU-UHFFFAOYSA-N
InChI: 1S/C18H30O3/c1-4-11-16-14(2)15(3)17(21-16)12-9-7-5-6-8-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
Lipid Maps code: LMFA01150009
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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. |