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FUR-195 / DiMeF(15,3) / 17,18-Dimethyl-16,19-epoxydocosa-16,18-dienoic acid ME |
Names: 13-(3,4-dimethyl-5-propylfuran-2-yl)pentadecanoic acid methyl ester; 13-(3,4-Dimethyl-5-propyl-2-furyl)pentadecanoic acid methyl ester; 17,18-Dimethyl-16,19-epoxydocosa-16,18-dienoic acid methyl ester; 16,19-Epoxy-17,18-dimethyldocosa-16,18-dienoic acid methyl ester
Formula: C25H44O3
Molar mass: 392.621 Da
Monoisotopic mass: 392.329 Da
SMILES: CCCC1=C(C)C(C)=C(CCCCCCCCCCCCCCC(OC)=O)O1
InChI Key: HDQNKCFNVLVIDY-UHFFFAOYSA-N
InChI: 1S/C25H44O3/c1-5-18-23-21(2)22(3)24(28-23)19-16-14-12-10-8-6-7-9-11-13-15-17-20-25(26)27-4/h5-20H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 26.013
Names: 13-(3,4-dimethyl-5-propylfuran-2-yl)pentadecanoic acid; 13-(3,4-Dimethyl-5-propyl-2-furyl)pentadecanoic acid; 17,18-Dimethyl-16,19-epoxydocosa-16,18-dienoic acid; 16,19-Epoxy-17,18-dimethyldocosa-16,18-dienoic acid
Formula: C24H42O3
Molar mass: 378.594 Da
SMILES: CCCc1oc(CCCCCCCCCCCCCCC(O)=O)c(C)c1C
InChI Key: OUOHNCBMSRPILC-UHFFFAOYSA-N
InChI: 1S/C24H42O3/c1-4-17-22-20(2)21(3)23(27-22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
Lipid Maps code: LMFA01150020
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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. |