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DIU-027 / 18:2 n-6 / c9,c12-18:2 |
Names: Methyl (9Z,12Z)-octadeca-9,12-dienoate; (9Z,12Z)-Octadeca-9,12-dienoic acid methyl ester; (9Z,12Z)-Octadecadienoic acid methyl ester; (Z,Z)-9,12-Octadecadienoic acid methyl ester; 9Z,12Z-Octadecadienoic acid methyl ester; cis-9, cis-12-Octadecadienoic acid methyl ester; Methyl linoleate; Linoleic 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-NQLNTKRDSA-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: 19.046
- ECL on Wax: 18.638
- ECL on DB225: 18.535
- ECL on 5% phenyl: 17.676
- ECL on Rxi-1: 17.599
- ECL on SLB-IL61: 18.527
- ECL on SLB-IL82: 19.232
- ECL on SLB-IL100: 19.465
- KI on Wax: 2486
- KI on DB225: 2447
- KI on 5% phenyl: 2095
Names: (9Z,12Z)-Octadeca-9,12-dienoic acid; (9Z,12Z)-Octadecadienoic acid; (Z,Z)-9,12-Octadecadienoic acid; 9Z,12Z-Octadecadienoic acid; Linoleic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCCC\C=C/C/C=C\CCCCCCCC(O)=O
InChI Key: OYHQOLUKZRVURQ-HZJYTTRNSA-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-
ChEBI code: CHEBI:17351
Lipid Maps code: LMFA01030120
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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. |