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DIU-402 / 18:2 NMI / c5,c9-18:2 |
Names: Methyl (5Z,9Z)-octadeca-5,9-dienoate; (5Z,9Z)-Octadeca-5,9-dienoic acid methyl ester; (Z,Z)-5,9-Octadecadienoic acid methyl ester; 5Z,9Z-Octadecadienoic acid methyl ester; cis-5, cis-9-Octadecadienoic acid methyl ester; Taxoleic acid methyl ester
Formula: C19H34O2
Molar mass: 294.476 Da
Monoisotopic mass: 294.256 Da
SMILES: CCCCCCCC\C=C/CC\C=C/CCCC(=O)OC
InChI Key: MTWLYBBQNPBFRK-JPTBNZNUSA-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/h10-11,14-15H,3-9,12-13,16-18H2,1-2H3/b11-10-,15-14-
Typical retention indexes:
- ECL on BPX70: 18.666
- ECL on Wax: 18.371
- ECL on 5% phenyl: 17.553
- ECL on Rxi-1: 17.481
- KI on Wax: 2459
- KI on 5% phenyl: 2082
Names: (5Z,9Z)-octadeca-5,9-dienoic acid; (Z,Z)-5,9-Octadecadienoic acid; 5Z,9Z-Octadecadienoic acid; cis-5, cis-9-Octadecadienoic acid; Taxoleic acid
Formula: C18H32O2
Molar mass: 280.450 Da
SMILES: CCCCCCCC\C=C/CC\C=C/CCCC(O)=O
InChI Key: DFJAXEWDHVOILU-KWUOUXIESA-N
InChI: 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,19,20)/b10-9-,14-13-
Lipid Maps code: LMFA01030325
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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. |