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DIU-028 / 20:2 n-6 / c11,c14-20:2

Names: Methyl (11Z,14Z)-icosa-11,14-dienoate;  (11Z,14Z)-Icosa-11,14-dienoic acid methyl ester;  (Z,Z)-11,14-Icosadienoic acid methyl ester;  11Z,14Z-Icosadienoic acid methyl ester;  cis-11, cis-14-Icosadienoic acid methyl ester;  Methyl (11Z,14Z)-eicosa-11,14-dienoate;  (11Z,14Z)-Eicosa-11,14-dienoic acid methyl ester;  (Z,Z)-11,14-Eicosadienoic acid methyl ester;  11Z,14Z-Eicosadienoic acid methyl ester;  cis-11, cis-14-Eicosadienoic acid methyl ester

Formula: C21H38O2

Molar mass: 322.530 Da

Monoisotopic mass: 322.287 Da

SMILES: CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC

InChI Key: GWJCFAOQCNNFAM-NQLNTKRDSA-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/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-

Typical retention indexes:
- ECL on BPX70: 21.058
- ECL on BP20: 20.649
- ECL on DB225: 20.561
- ECL on SLB-IL61: 20.578
- ECL on SLB-IL82: 21.287
- ECL on SLB-IL100: 21.516

Non-derivatized:

Names: (11Z,14Z)-icosa-11,14-dienoic acid;  (Z,Z)-11,14-Icosadienoic acid;  11Z,14Z-Icosadienoic acid;  cis-11, cis-14-Icosadienoic acid;  (11Z,14Z)-eicosa-11,14-dienoic acid;  (Z,Z)-11,14-Eicosadienoic acid;  11Z,14Z-Eicosadienoic acid;  cis-11, cis-14-Eicosadienoic acid

Formula: C20H36O2

Molar mass: 308.503 Da

SMILES: CCCCC\C=C/C/C=C\CCCCCCCCCC(O)=O

InChI Key: XSXIVVZCUAHUJO-HZJYTTRNSA-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/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-



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.