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ALD-891 / 18:0 Ald / Octadecanal |
Names: Octadecanal; Stearaldehyde; Stearyl aldehyde; Stearic aldehyde
Formula: C18H36O
Molar mass: 268.482 Da
Monoisotopic mass: 268.277 Da
SMILES: CCCCCCCCCCCCCCCCCC=O
InChI Key: FWWQKRXKHIRPJY-UHFFFAOYSA-N
InChI: 1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
ChEBI code: CHEBI:17034
Lipid Maps code: LMFA06000098
Typical retention indexes:
- ECL on Wax: 17.235
- KI on Wax: 2343
Additional information:
Long chain aldehydes may be formed in the GC injector from 3-hydroxy FAME with two more carbons. See H. Husmann et al, J. Sep. Sci. 13 (1990) 780-782. 3-hydroxyeicosanoic acid acid is therefore listed as the non-derivatized (parent) compound of octadecanal.
Names: 3-Hydroxyicosanoic acid (decomposes); 3-Hydroxyeicosanoic acid (decomposes)
Formula: C20H40O3
Molar mass: 328.298 Da
SMILES: CCCCCCCCCCCCCCCCCC(O)CC(O)=O
InChI Key: XXKHCFPQYSMGCI-UHFFFAOYSA-N
InChI: 1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
Lipid Maps code: LMFA01050074
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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. |