www.chrombox.org

SAB-831 / Bra-17:0 (11Me) / 11-Methylhexadecanoic acid ME

Names: Methyl 11-methylhexadecanoate;  11-Methylhexadecanoic acid methyl ester;  Methyl 11-methylpalmitate;  11-Methylpalmitic acid methyl ester

Formula: C18H36O2

Molar mass: 284.481 Da

Monoisotopic mass: 284.272 Da

SMILES: CCCCCC(C)CCCCCCCCCC(=O)OC

InChI Key: JHQUIENCXDNKNC-UHFFFAOYSA-N

InChI: 1S/C18H36O2/c1-4-5-11-14-17(2)15-12-9-7-6-8-10-13-16-18(19)20-3/h17H,4-16H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 16.334
- ECL on Wax: 16.354
- ECL on 5% phenyl: 16.469
- KI on Wax: 2253
- KI on 5% phenyl: 1973

Non-derivatized:

Names: 11-Methylhexadecanoic acid;  11-Methylpalmitic acid

Formula: C17H34O2

Molar mass: 270.454 Da

SMILES: CCCCCC(C)CCCCCCCCCC(O)=O

InChI Key: AOKNWGQMRWJWFS-UHFFFAOYSA-N

InChI: 1S/C17H34O2/c1-3-4-10-13-16(2)14-11-8-6-5-7-9-12-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

Lipid Maps code: LMFA01020194



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.