www.chrombox.org

SAB-445 / i-19:0 / 17-Methyloctadecanoic acid ME

Names: Methyl 17-methyloctadecanoate;  17-Methyloctadecanoic acid methyl ester;  17-Methylstearic acid methyl ester

Formula: C20H40O2

Molar mass: 312.535 Da

Monoisotopic mass: 312.303 Da

SMILES: CC(C)CCCCCCCCCCCCCCCC(=O)OC

InChI Key: MASZVQKLIMRPFY-UHFFFAOYSA-N

InChI: 1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 18.494

Non-derivatized:

Names: 17-Methyloctadecanoic acid;  17-Methylstearic acid

Formula: C19H38O2

Molar mass: 298.508 Da

SMILES: CC(C)CCCCCCCCCCCCCCCC(O)=O

InChI Key: YETXGSGCWODRAA-UHFFFAOYSA-N

InChI: 1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

Lipid Maps code: LMFA01020096



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.