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POU-952 / 20:3 NMI / c7,c11,c14-20:3 |
Names: Methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate; (7Z,11Z,14Z)-Icosa-7,11,14-trienoic acid methyl ester; (Z,Z,Z)-7,11,14-Icosatrienoic acid methyl ester; 7Z,11Z,14Z-Icosatrienoic acid methyl ester; cis-7, cis-11, cis-14-Icosatrienoic acid methyl ester; Methyl (7Z,11Z,14Z)-eicosa-7,11,14-trienoate; (7Z,11Z,14Z)-Eicosa-7,11,14-trienoic acid methyl ester; (Z,Z,Z)-7,11,14-Eicosatrienoic acid methyl ester; 7Z,11Z,14Z-Eicosatrienoic acid methyl ester; cis-7, cis-11, cis-14-Eicosatrienoic acid methyl ester; Dihomopinolenic acid methyl ester
Formula: C21H36O2
Molar mass: 320.514 Da
Monoisotopic mass: 320.272 Da
SMILES: CCCCC/C=C\C/C=C\CC/C=C\CCCCCC(=O)OC
InChI Key: ZRHSYMHNNGKUKW-BYKHLRFOSA-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/h7-8,10-11,14-15H,3-6,9,12-13,16-20H2,1-2H3/b8-7-,11-10-,15-14-
Typical retention indexes:
- ECL on BPX70: 21.440
- ECL on Wax: 20.884
- ECL on 5% phenyl: 19.496
- ECL on Rxi-1: 19.381
- KI on Wax: 2717
- KI on 5% phenyl: 2278
Names: (7Z,11Z,14Z)-Icosa-7,11,14-trienoic acid; (Z,Z,Z)-7,11,14-Icosatrienoic acid; 7Z,11Z,14Z-Icosatrienoic acid; cis-7, cis-11, cis-14-Icosatrienoic acid; (7Z,11Z,14Z)-Eicosa-7,11,14-trienoic acid; (Z,Z,Z)-7,11,14-Eicosatrienoic acid; 7Z,11Z,14Z-Eicosatrienoic acid; cis-7, cis-11, cis-14-Eicosatrienoic acid; Dihomopinolenic acid
Formula: C20H34O2
Molar mass: 306.487 Da
SMILES: CCCCC\C=C/C/C=C\CC\C=C/CCCCCC(O)=O
InChI Key: PTZVBFWVXXLKST-URPRIDOGSA-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/h6-7,9-10,13-14H,2-5,8,11-12,15-19H2,1H3,(H,21,22)/b7-6-,10-9-,14-13-
Lipid Maps code: LMFA01030386
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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. |