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DIU-953 / 20:2 NMI / c5,c13-20:2 |
Names: Methyl (5Z,13Z)-icosa-5,13-dienoate; (5Z,13Z)-Icosa-5,13-dienoic acid methyl ester; (Z,Z)-5,13-Icosadienoic acid methyl ester; 5Z,13Z-Icosadienoic acid methyl ester; cis-5, cis-13-Icosadienoic acid methyl ester; Methyl (5Z,13Z)-eicosa-5,13-dienoate; (5Z,13Z)-Eicosa-5,13-dienoic acid methyl ester; (Z,Z)-5,13-Eicosadienoic acid methyl ester; 5Z,13Z-Eicosadienoic acid methyl ester; cis-5, cis-13-Eicosadienoic acid methyl ester
Formula: C21H38O2
Molar mass: 322.530 Da
Monoisotopic mass: 322.287 Da
SMILES: CCCCCC\C=C/CCCCCC\C=C/CCCC(=O)OC
InChI Key: KYOWSYUGDVYALK-GYVPIYKOSA-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/h8-9,16-17H,3-7,10-15,18-20H2,1-2H3/b9-8-,17-16-
Typical retention indexes:
- ECL on BPX70: 20.743
- ECL on Wax: 20.386
- ECL on 5% phenyl: 19.534
- KI on Wax: 2666
- KI on 5% phenyl: 2282
Names: (5Z,13Z)-Icosa-5,13-dienoic acid; (Z,Z)-5,13-Icosadienoic acid; 5Z,13Z-Icosadienoic acid; cis-5, cis-13-Icosadienoic acid; (5Z,13Z)-Eicosa-5,13-dienoic acid; (Z,Z)-5,13-Eicosadienoic acid; 5Z,13Z-Eicosadienoic acid; cis-5, cis-13-Eicosadienoic acid
Formula: C20H36O2
Molar mass: 308.503 Da
SMILES: CCCCCC\C=C/CCCCCC\C=C/CCCC(O)=O
InChI Key: VCKGBSZMAQFHBF-DRGLTMLKSA-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/h7-8,15-16H,2-6,9-14,17-19H2,1H3,(H,21,22)/b8-7-,16-15-
Lipid Maps code: LMFA01030860
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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. |