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SAB-826 / Bra-17:0 (10Me) / 10-Methylhexadecanoic acid ME

Names: Methyl 10-methylhexadecanoate;  10-Methylhexadecanoic acid methyl ester

Formula: C18H36O2

Molar mass: 284.481 Da

Monoisotopic mass: 284.272 Da

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

InChI Key: WSFXDGJCECYESJ-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 16.294
- ECL on Wax: 16.331
- ECL on 5% phenyl: 16.442
- KI on Wax: 2250
- KI on 5% phenyl: 1971

Non-derivatized:

Name: 10-Methylhexadecanoic acid

Formula: C17H34O2

Molar mass: 270.454 Da

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

InChI Key: ITFOCFQAVPXNEV-UHFFFAOYSA-N

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

Lipid Maps code: LMFA01020193



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.