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POU-047 / 20:3 NMI / c5,c11,c14-20:3 |
Names: Methyl (5Z,11Z,14Z)-icosa-5,11,14-trienoate; (5Z,11Z,14Z)-Icosa-5,11,14-trienoic acid methyl ester; (Z,Z,Z)-5,11,14-Icosatrienoic acid methyl ester; 5Z,11Z,14Z-Icosatrienoic acid methyl ester; cis-5, cis-11, cis-14-Icosatrienoic acid methyl ester; Methyl (5Z,11Z,14Z)-eicosa-5,11,14-trienoate; (5Z,11Z,14Z)-Eicosa-5,11,14-trienoic acid methyl ester; (Z,Z,Z)-5,11,14-Eicosatrienoic acid methyl ester; 5Z,11Z,14Z-Eicosatrienoic acid methyl ester; cis-5, cis-11, cis-14-Eicosatrienoic acid methyl ester; Sciadonic acid methyl ester; Podocarpic acid methyl ester; Calthic acid methyl ester
Formula: C22H38O2
Molar mass: 334.541 Da
Monoisotopic mass: 334.287 Da
SMILES: CCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)OC
InChI Key: SAPFNMWZKGSUSH-YFDZHXBDSA-N
InChI: 1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h8-9,11-12,17-18H,3-7,10,13-16,19-21H2,1-2H3/b9-8-,12-11-,18-17-
Typical retention indexes:
- ECL on BPX70: 21.333
- ECL on Wax: 20.795
- ECL on 5% phenyl: 19.442
- ECL on Rxi-1: 19.328
- KI on Wax: 2708
- KI on 5% phenyl: 2273
Names: (5Z,11Z,14Z)-Icosa-5,11,14-trienoic acid; (Z,Z,Z)-5,11,14-Icosatrienoic acid; 5Z,11Z,14Z-Icosatrienoic acid; cis-5, cis-11, cis-14-Icosatrienoic acid; (5Z,11Z,14Z)-Eicosa-5,11,14-trienoic acid; (Z,Z,Z)-5,11,14-Eicosatrienoic acid; 5Z,11Z,14Z-Eicosatrienoic acid; cis-5, cis-11, cis-14-Eicosatrienoic acid; Sciadonic acid; Podocarpic acid; Calthic acid acid
Formula: C21H36O2
Molar mass: 320.514 Da
SMILES: CCCCCC\C=C/C/C=C\CCCC\C=C/CCCC(O)=O
InChI Key: CTOGUSLWWLHLIR-DXBQHLCFSA-N
InChI: 1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h7-8,10-11,16-17H,2-6,9,12-15,18-20H2,1H3,(H,22,23)/b8-7-,11-10-,17-16-
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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. |