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DIU-549 / 22:2 n-6 ct / c13,t16-22:2 |
Names: Methyl (13Z,16E)-docosa-13,16-dienoate; (13Z,16E)-Docosa-13,16-dienoic acid methyl ester; (Z,E)-13,16-Docosadienoic acid methyl ester; 13Z,16E-Docosadienoic acid methyl ester; cis-13, trans-16-Docosadienoic acid methyl ester
Formula: C23H42O2
Molar mass: 350.584 Da
Monoisotopic mass: 350.318 Da
SMILES: CCCCC\C=C\C\C=C/CCCCCCCCCCCC(=O)OC
InChI Key: UPIRHFZFPVEDCF-LFOHPMNASA-N
InChI: 1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h7-8,10-11H,3-6,9,12-22H2,1-2H3/b8-7+,11-10-
Typical retention indexes:
- ECL on BPX70: 22.877
Names: (13Z,16E)-Docosa-13,16-dienoic acid; (Z,E)-13,16-Docosadienoic acid; 13Z,16E-Docosadienoic acid; cis-13, trans-16-Docosadienoic acid
Formula: C22H40O2
Molar mass: 336.557 Da
SMILES: CCCCC\C=C\C\C=C/CCCCCCCCCCCC(O)=O
InChI Key: HVGRZDASOHMCSK-KQHSAVHASA-N
InChI: 1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6+,10-9-
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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. |