|
|
FUR-194 / DiMeF(13,5) / 15,16-Dimethyl-14,17-epoxydocosa-14,16-dienoic acid ME |
Names: 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoic acid methyl ester; 13-(3,4-Dimethyl-5-pentyl-2-furyl)tridecanoic acid methyl ester; 15,16-Dimethyl-14,17-epoxydocosa-14,16-dienoic acid methyl ester; 14,17-Epoxy-15,16-dimethyldocosa-14,16-dienoic acid methyl ester
Formula: C25H44O3
Molar mass: 392.621 Da
Monoisotopic mass: 392.329 Da
SMILES: CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(OC)=O)O1
InChI Key: WYDKERVXEOBIGD-UHFFFAOYSA-N
InChI: 1S/C25H44O3/c1-5-6-15-18-23-21(2)22(3)24(28-23)19-16-13-11-9-7-8-10-12-14-17-20-25(26)27-4/h5-20H2,1-4H3
Typical retention indexes:
- ECL on BPX70: 25.541
Names: 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoic acid; 13-(3,4-Dimethyl-5-pentyl-2-furyl)tridecanoic acid; 15,16-Dimethyl-14,17-epoxydocosa-14,16-dienoic acid; 14,17-Epoxy-15,16-dimethyldocosa-14,16-dienoic acid
Formula: C24H42O3
Molar mass: 378.594 Da
SMILES: CCCCCc1oc(CCCCCCCCCCCCC(O)=O)c(C)c1C
InChI Key: RCISJPUCXSEESK-UHFFFAOYSA-N
InChI: 1S/C24H42O3/c1-4-5-14-17-22-20(2)21(3)23(27-22)18-15-12-10-8-6-7-9-11-13-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
Lipid Maps code: LMFA01150015
|
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. |