www.chrombox.org

SAB-909 / ai-27:0 / 24-Methylhexacosanoic acid ME

Names: Methyl 24-methylhexacosanoate;  24-Methylhexacosanoic acid methyl ester

Formula: C28H56O2

Molar mass: 424.749 Da

Monoisotopic mass: 424.428 Da

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

InChI Key: ZLOIUNGSVFOVCI-UHFFFAOYSA-N

InChI: 1S/C28H56O2/c1-4-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28(29)30-3/h27H,4-26H2,1-3H3

Typical retention indexes:
- ECL on BPX70: 26.766
- ECL on Wax: 26.709
- ECL on 5% phenyl: 26.745

Non-derivatized:

Name: 24-Methylhexacosanoic acid

Formula: C27H54O2

Molar mass: 410.722 Da

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

InChI Key: QKVYEHVFHQOMSA-UHFFFAOYSA-N

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

Lipid Maps code: LMFA01020025



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.