|
|
DIU-172 / 18:2 n-6 tc / t9,c12-18:2 |
Names: Methyl (9E,12Z)-octadeca-9,12-dienoate; (9E,12Z)-Octadeca-9,12-dienoic acid methyl ester; (E,Z)-9,12-Octadecadienoic acid methyl ester; 9E,12Z-Octadecadienoic acid methyl ester; trans-9, cis-12-Octadecadienoic acid methyl ester
Formula: C19H34O2
Molar mass: 294.476 Da
Monoisotopic mass: 294.256 Da
SMILES: CCCCC\C=C/C\C=C\CCCCCCCC(=O)OC
InChI Key: WTTJVINHCBCLGX-QEFCTBRHSA-N
InChI: 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10+
Typical retention indexes:
- ECL on BPX70: 18.960
- ECL on Wax: 18.771
- KI on Wax: 2500
Names: (9E,12Z)-Octadeca-9,12-dienoic acid; (E,Z)-9,12-Octadecadienoic acid; 9E,12Z-Octadecadienoic acid; trans-9, cis-12-Octadecadienoic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCCC\C=C/C/C=C/CCCCCCCC(O)=O
InChI Key: OYHQOLUKZRVURQ-IXWMQOLASA-N
InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+
Lipid Maps code: LMFA01030122
|
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. |