www.chrombox.org

SAB-076 / i-18:0 / 16-Methylheptadecanoic acid ME

Names: Methyl 16-methylheptadecanoate;  16-Methylheptadecanoic acid methyl ester;  Isooctadecanoic acid methyl ester;  Methyl isooctadecanoate;  Methyl isostearate;  2-Methylheptadecanoic acid methyl ester

Formula: C19H38O2

Molar mass: 298.508 Da

Monoisotopic mass: 298.287 Da

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

InChI Key: KDQIFKKWPMBNOH-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 17.478
- ECL on BP20: 17.495
- ECL on SLB-IL61: 17.529
- ECL on SLB-IL82: 17.541
- ECL on SLB-IL100: 17.557

Non-derivatized:

Names: 16-Methylheptadecanoic acid;  Isooctadecanoic acid;  2-Methylheptadecanoic acid

Formula: C18H36O2

Molar mass: 284.481 Da

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

InChI Key: XDOFQFKRPWOURC-UHFFFAOYSA-N

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

Lipid Maps code: LMFA01020014



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.