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DIU-211 / 22:2 NMI / c7,c13-22:2 |
Names: Methyl (7Z,13Z)-Docosa-7,13-dienoate; (7Z,13Z)-Docosa-7,13-dienoic acid methyl ester; (Z,Z)-7,13-Docosadienoic acid methyl ester; 7Z,13Z-Docosadienoic acid methyl ester; cis-7, cis-13-Docosadienoic acid methyl ester
Formula: C23H42O2
Molar mass: 350.584 Da
Monoisotopic mass: 350.318 Da
SMILES: CCCCCCCC/C=C\CCCC/C=C\CCCCCC(=O)OC
InChI Key: ROUHRJHHUIVOLW-BYKUODSXSA-N
InChI: 1S/C23H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11,16-17H,3-9,12-15,18-22H2,1-2H3/b11-10-,17-16-
Typical retention indexes:
- ECL on BPX70: 22.734
- ECL on Wax: 22.357
- ECL on 5% phenyl: 21.483
- KI on Wax: 2869
- KI on 5% phenyl: 2478
Names: (7Z,13Z)-Docosa-7,13-dienoic acid; (Z,Z)-7,13-Docosadienoic acid; 7Z,13Z-Docosadienoic acid; cis-7, cis-13-Docosadienoic acid
Formula: C22H40O2
Molar mass: 336.557 Da
SMILES: CCCCCCCC\C=C/CCCC\C=C/CCCCCC(O)=O
InChI Key: HHSQSZLEUFWPRH-GJWNNSPJSA-N
InChI: 1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,15-16H,2-8,11-14,17-21H2,1H3,(H,23,24)/b10-9-,16-15-
Lipid Maps code: LMFA04000061
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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. |