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DIU-094 / 20:2 NMI / c5,c11-20:2 |
Names: Methyl (5Z,11Z)-icosa-5,11-dienoate; (5Z,11Z)-Icosa-5,11-dienoic acid methyl ester; (Z,Z)-5,11-Icosadienoic acid methyl ester; 5Z,11Z-Icosadienoic acid methyl ester; cis-5, cis-11-Icosadienoic acid methyl ester; Methyl (5Z,11Z)-eicosa-5,11-dienoate; (5Z,11Z)-Eicosa-5,11-dienoic acid methyl ester; (Z,Z)-5,11-Eicosadienoic acid methyl ester; 5Z,11Z-Eicosadienoic acid methyl ester; cis-5, cis-11-Eicosadienoic acid methyl ester; Keteleeronic acid methyl ester
Formula: C21H38O2
Molar mass: 322.530 Da
Monoisotopic mass: 322.287 Da
SMILES: CCCCCCCC\C=C/CCCC\C=C/CCCC(=O)OC
InChI Key: FMHNMYHFFUNJDC-BYKUODSXSA-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/h10-11,16-17H,3-9,12-15,18-20H2,1-2H3/b11-10-,17-16-
Typical retention indexes:
- ECL on BPX70: 20.631
- ECL on Wax: 20.333
- ECL on 5% phenyl: 19.498
- ECL on SLB-IL82: 20.731
- ECL on SLB-IL100: 20.847
- KI on Wax: 2661
- KI on 5% phenyl: 2278
Names: (5Z,11Z)-Icosa-5,11-dienoic acid; (Z,Z)-5,11-Icosadienoic acid; 5Z,11Z-Icosadienoic acid; cis-5, cis-11-Icosadienoic acid; (5Z,11Z)-Eicosa-5,11-dienoic acid; (Z,Z)-5,11-Eicosadienoic acid; 5Z,11Z-Eicosadienoic acid; cis-5, cis-11-Eicosadienoic acid; Keteleeronic acid
Formula: C20H36O2
Molar mass: 308.503 Da
SMILES: CCCCCCCC\C=C/CCCC\C=C/CCCC(O)=O
InChI Key: RCYNQXHBZULXMM-GJWNNSPJSA-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/h9-10,15-16H,2-8,11-14,17-19H2,1H3,(H,21,22)/b10-9-,16-15-
Lipid Maps code: LMFA01030865
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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. |