www.chrombox.org

SAB-834 / Bra-18:0 (10Me) / 10-Methylheptadecanoic acid ME

Names: Methyl 10-methylheptadecanoate;  10-methylheptadecanoic acid methyl ester

Formula: C19H38O2

Molar mass: 298.508 Da

Monoisotopic mass: 298.287 Da

SMILES: CCCCCCCC(C)CCCCCCCCC(=O)OC

InChI Key: DRJCIKFLPGIEQC-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 17.258
- ECL on Wax: 17.284
- ECL on 5% phenyl: 17.411
- KI on Wax: 2348
- KI on 5% phenyl: 2068

Non-derivatized:

Name: 10-methylheptadecanoic acid

Formula: C18H36O2

Molar mass: 284.481 Da

SMILES: CCCCCCCC(C)CCCCCCCCC(O)=O

InChI Key: OQCDKBAXFALNLD-UHFFFAOYSA-N

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

Lipid Maps code: LMFA01020013



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.