www.chrombox.org

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: 18.708

Non-derivatized:

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



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.