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POU-975 / 18:3 conj / t8,t10,t12-18:3 |
Names: Methyl (8E,10E,12E)-Octadeca-8,10,12-trienoate; (8E,10E,12E)-Octadeca-8,10,12-trienoic acid methyl ester; (E,E,E)-8,10,12-Octadecatrienoic acid methyl ester; 8E,10E,12E-Octadecatrienoic acid methyl ester; trans-8,trans-10,trans-12-Octadecatrienoic acid methyl ester; beta-Calendic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCC/C=C/C=C/C=C/CCCCCCC(=O)OC
InChI Key: HHGSORSQNMLLED-SNUJAXHWSA-N
InChI: 1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-12H,3-6,13-18H2,1-2H3/b8-7+,10-9+,12-11+
Typical retention indexes:
- ECL on BPX70: 23.189
- ECL on Wax: 22.136
- ECL on 5% phenyl: 19.567
- ECL on Rxi-1: 19.419
- KI on Wax: 2846
- KI on 5% phenyl: 2285
Names: (8E,10E,12E)-Octadeca-8,10,12-trienoic acid; (E,E,E)-8,10,12-Octadecatrienoic acid; 8E,10E,12E-Octadecatrienoic acid; trans-8,trans-10,trans-12-Octadecatrienoic acid; beta-Calendic acid
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCC\C=C\C=C\C=C\CCCCCCC(O)=O
InChI Key: DQGMPXYVZZCNDQ-OBWVEWQSSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-11H,2-5,12-17H2,1H3,(H,19,20)/b7-6+,9-8+,11-10+
Lipid Maps code: LMFA01030145
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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. |