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DIU-600 / 20:2 n-4 / c13,c16-20:2 |
Names: Methyl (13Z,16Z)-icosa-13,16-dienoate; (13Z,16Z)-Icosa-13,16-dienoic acid methyl ester; (Z,Z)-13,16-Icosadienoic acid methyl ester; 13Z,16Z-Icosadienoic acid methyl ester; cis-13, cis-16-Icosadienoic acid methyl ester; Methyl (13Z,16Z)-eicosa-13,16-dienoate; (13Z,16Z)-Eicosa-13,16-dienoic acid methyl ester; (Z,Z)-13,16-Eicosadienoic acid methyl ester; 13Z,16Z-Eicosadienoic acid methyl ester; cis-13, cis-16-Eicosadienoic acid methyl ester
Formula: C21H38O2
Molar mass: 322.530 Da
Monoisotopic mass: 322.287 Da
SMILES: CCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC
InChI Key: DZPNZKRIXJKEQR-AFJQJTPPSA-N
InChI: 1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h5-6,8-9H,3-4,7,10-20H2,1-2H3/b6-5-,9-8-
Typical retention indexes:
- ECL on BPX70: 21.277
- ECL on Wax: 20.863
- KI on Wax: 2715
Names: (13Z,16Z)-icosa-13,16-dienoic acid; (Z,Z)-13,16-Icosadienoic acid; 13Z,16Z-Icosadienoic acid; cis-13, cis-16-Icosadienoic acid; (13Z,16Z)-eicosa-13,16-dienoic acid; (Z,Z)-13,16-Eicosadienoic acid; 13Z,16Z-Eicosadienoic acid; cis-13, cis-16-Eicosadienoic acid
Formula: C20H36O2
Molar mass: 308.503 Da
SMILES: CCC\C=C/C/C=C\CCCCCCCCCCCC(O)=O
InChI Key: OHQXUCXUBQTPEG-UTOQUPLUSA-N
InChI: 1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h4-5,7-8H,2-3,6,9-19H2,1H3,(H,21,22)/b5-4-,8-7-
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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. |