www.chrombox.org

SAB-073 / ai-17:0 / 14-Methylhexadecanoic acid ME

Names: Methyl 14-methylhexadecanoate;  14-methylhexadecanoic acid methyl ester;  14-Methylpalmitic acid methyl ester

Formula: C18H36O2

Molar mass: 284.481 Da

Monoisotopic mass: 284.272 Da

SMILES: CCC(C)CCCCCCCCCCCCC(=O)OC

InChI Key: AOAFVSVYRSUDBN-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 16.713
- ECL on BP20: 16.676
- ECL on SLB-IL61: 16.733
- ECL on SLB-IL82: 16.748
- ECL on SLB-IL100: 16.783

Non-derivatized:

Names: 14-methylhexadecanoic acid;  14-Methylpalmitic acid

Formula: C17H34O2

Molar mass: 270.454 Da

SMILES: CCC(C)CCCCCCCCCCCCC(O)=O

InChI Key: FXUKWLSZZHVEJD-UHFFFAOYSA-N

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

Lipid Maps code: LMFA01020011



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.