www.chrombox.org

SAB-907 / ai-26:0 / 23-Methylpentacosanoic acid ME

Names: Methyl 23-methylpentacosanoate;  23-Methylpentacosanoic acid methyl ester

Formula: C27H54O2

Molar mass: 410.722 Da

Monoisotopic mass: 410.412 Da

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

InChI Key: GIKKGIBVODLQQD-UHFFFAOYSA-N

InChI: 1S/C27H54O2/c1-4-26(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27(28)29-3/h26H,4-25H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 25.744
- ECL on Wax: 25.696
- ECL on 5% phenyl: 25.732
- KI on 5% phenyl: 2906

Non-derivatized:

Name: 23-Methylpentacosanoic acid

Formula: C26H52O2

Molar mass: 396.696 Da

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

InChI Key: KETXIYUCVSWJBJ-UHFFFAOYSA-N

InChI: 1S/C26H52O2/c1-3-25(2)23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)

Lipid Maps code: LMFA01020343



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.