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POU-977 / 18:3 conj / t9,t11,t13-18:3 |
Names: Methyl (9E,11E,13E)-octadeca-9,11,13-trienoate; (9E,11E,13E)-Octadeca-9,11,13-trienoic acid methyl ester; (E,E,E)-9,11,13-Octadecatrienoic acid methyl ester; 9E,11E,13E-Octadecatrienoic acid methyl ester; trans-9,trans-11,trans-3E-Octadecatrienoic acid methyl ester; beta-Eleostearic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC
InChI Key: KOJYENXGDXRGDK-OBWVEWQSSA-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/h6-11H,3-5,12-18H2,1-2H3/b7-6+,9-8+,11-10+
Typical retention indexes:
- ECL on BPX70: 23.123
- ECL on Wax: 22.090
- ECL on 5% phenyl: 19.528
- ECL on Rxi-1: 19.376
- KI on Wax: 2842
- KI on 5% phenyl: 2281
Names: (9E,11E,13E)-Octadeca-9,11,13-trienoic acid; (E,E,E)-9,11,13-Octadecatrienoic acid; 9E,11E,13E-Octadecatrienoic acid; trans-9,trans-11,trans-3E-Octadecatrienoic acid; beta-Eleostearic acid
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O
InChI Key: CUXYLFPMQMFGPL-SUTYWZMXSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9+
ChEBI code: CHEBI:38384
Lipid Maps code: LMFA01030148
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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. |