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POU-120 / D6 (DHA-26) / t4,t7,t10,t13,t16,t19-22:6 |
Names: Methyl (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate; (4E,7E,10E,13E,16E,19E)-Docosa-4,7,10,13,16,19-hexaenoic acid methyl ester; (E,E,E,E,E,E)-4,7,10,13,16,19-Docosahexaenoic acid methyl ester; 4E,7E,10E,13E,16E,19E-Docosahexaenoic acid methyl ester; trans-4, trans-7, trans-10, trans-13, trans-16, trans-19-Docosahexaenoic acid methyl ester; (4E,7E,10E,13E,16E,19E)-Docosa-4,7,10,13,16,19-hexaenoic acid; (E,E,E,E,E,E)-4,7,10,13,16,19-Docosahexaenoic acid; 4E,7E,10E,13E,16E,19E-Docosahexaenoic acid; trans-4, trans-7, trans-10, trans-13, trans-16, trans-19-Docosahexaenoic acid methyl ester
Formula: C23H34O2
Molar mass: 342.520 Da
Monoisotopic mass: 342.256 Da
SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC
InChI Key: VCDLWFYODNTQOT-DMGWNJAXSA-N
InChI: 1S/C23H34O2/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/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+
Typical retention indexes:
- ECL on BPX70: 24.176
Formula: C22H32O2
Molar mass: 328.494 Da
SMILES: CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCC(O)=O
InChI Key: MBMBGCFOFBJSGT-SFGLVEFQSA-N
InChI: 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
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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. |