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SAB-446 / ai-19:0 / 16-Methyloctadecanoic acid ME |
Names: Methyl 16-methyloctadecanoate; 16-Methyloctadecanoic acid methyl ester; 16-Methylstearic acid methyl ester
Formula: C20H40O2
Molar mass: 312.535 Da
Monoisotopic mass: 312.303 Da
SMILES: CCC(C)CCCCCCCCCCCCCCC(=O)OC
InChI Key: IAAPBHVWQFGAED-UHFFFAOYSA-N
InChI: 1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
Typical retention indexes:
- ECL on BPX70: 18.724
- ECL on Wax: 18.682
- ECL on 5% phenyl: 18.720
- KI on Wax: 2491
- KI on 5% phenyl: 2200
Names: 16-Methyloctadecanoic acid; 16-Methylstearic acid
Formula: C19H38O2
Molar mass: 298.508 Da
SMILES: CCC(C)CCCCCCCCCCCCCCC(O)=O
InChI Key: PCGKIWPTIJPQHI-UHFFFAOYSA-N
InChI: 1S/C19H38O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
Lipid Maps code: LMFA01020016
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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. |