|
|
POU-544 / 20:3 n-6 ctc / c8,t11,c14-20:3 |
Names: Methyl (8Z,11E,14Z)-icosa-8,11,14-trienoate; (8Z,11E,14Z)-Icosa-8,11,14-trienoic acid methyl ester; (Z,E,Z)-8,11,14-Icosatrienoic acid methyl ester; 8Z,11E,14Z-Icosatrienoic acid methyl ester; cis-8, trans-11, cis-14-Icosatrienoic acid methyl ester; Methyl (8Z,11E,14Z)-eicosa-8,11,14-trienoate; (8Z,11E,14Z)-Eicosa-8,11,14-trienoic acid methyl ester; (Z,E,Z)-8,11,14-Eicosatrienoic acid methyl ester; 8Z,11E,14Z-Eicosatrienoic acid methyl ester; cis-8, trans-11, cis-14-Eicosatrienoic acid methyl ester
Formula: C21H36O2
Molar mass: 320.514 Da
Monoisotopic mass: 320.272 Da
SMILES: CCCCC/C=C\C/C=C/C/C=C\CCCCCCC(=O)OC
InChI Key: QHATYOWJCAQINT-QEQPHBQWSA-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/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7-,11-10+,14-13-
Typical retention indexes:
- ECL on BPX70: 21.475
Names: (8Z,11E,14Z)-Icosa-8,11,14-trienoic acid; (Z,E,Z)-8,11,14-Icosatrienoic acid; 8Z,11E,14Z-Icosatrienoic acid; cis-8, trans-11, cis-14-Icosatrienoic acid; (8Z,11E,14Z)-Eicosa-8,11,14-trienoic acid; (Z,E,Z)-8,11,14-Eicosatrienoic acid; 8Z,11E,14Z-Eicosatrienoic acid; cis-8, trans-11, cis-14-Eicosatrienoic acid
Formula: C20H34O2
Molar mass: 306.487 Da
SMILES: CCCCC\C=C/C/C=C/C/C=C\CCCCCCC(O)=O
InChI Key: HOBAELRKJCKHQD-XQYVMNDBSA-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/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9+,13-12-
|
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. |