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POU-552 / 20:3 n-3 ctc / c11,t14,c17-20:3 |
Names: Methyl (11Z,14E,17Z)-icosa-11,14,17-trienoate; (11Z,14E,17Z)-Icosa-11,14,17-trienoic acid methyl ester; (Z,E,Z)-11,14,17-Icosatrienoic acid methyl ester; 11Z,14E,17Z-Icosatrienoic acid methyl ester; cis-11, trans-14, cis-17-Icosatrienoic acid methyl ester; Methyl (11Z,14E,17Z)-eicosa-11,14,17-trienoate; (11Z,14E,17Z)-Eicosa-11,14,17-trienoic acid methyl ester; (Z,E,Z)-11,14,17-Eicosatrienoic acid methyl ester; 11Z,14E,17Z-Eicosatrienoic acid methyl ester; cis-11, trans-14, cis-17-Icosatrienoic acid methyl ester
Formula: C21H36O2
Molar mass: 320.514 Da
Monoisotopic mass: 320.272 Da
SMILES: CC/C=C\C\C=C\C/C=C\CCCCCCCCCC(=O)OC
InChI Key: XQAVRBUXEPJVRC-BKMIETEFSA-N
InChI: 1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4-,8-7+,11-10-
Typical retention indexes:
- ECL on BPX70: 21.735
Names: (11Z,14E,17Z)-Icosa-11,14,17-trienoic acid; (Z,E,Z)-11,14,17-Icosatrienoic acid; 11Z,14E,17Z-Icosatrienoic acid; cis-11, trans-14, cis-17-Icosatrienoic acid; (11Z,14E,17Z)-Eicosa-11,14,17-trienoic acid; (Z,E,Z)-11,14,17-Eicosatrienoic acid; 11Z,14E,17Z-Eicosatrienoic acid; cis-11, trans-14, cis-17-Eicosatrienoic acid
Formula: C20H34O2
Molar mass: 306.487 Da
SMILES: CC\C=C/C/C=C/C/C=C\CCCCCCCCCC(O)=O
InChI Key: AHANXAKGNAKFSK-PCMISOECSA-N
InChI: 1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6+,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. |