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SAB-905 / ai-25:0 / 22-Methyltetracosanoic acid ME

Names: Methyl 22-methyltetracosanoate;  22-Methyltetracosanoic acid methyl ester;  Methyl 22-Methyllignocerate;  22-Methyllignoceric acid methyl ester

Formula: C26H52O2

Molar mass: 396.696 Da

Monoisotopic mass: 396.397 Da

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

InChI Key: UWAZMJUMOGWYQM-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on BPX70: 24.741
- ECL on Wax: 24.698
- ECL on 5% phenyl: 24.738
- KI on 5% phenyl: 2806

Non-derivatized:

Names: 22-Methyltetracosanoic acid;  22-Methyllignoceric acid

Formula: C25H50O2

Molar mass: 382.669 Da

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

InChI Key: ROFGTBFWXLYRFY-UHFFFAOYSA-N

InChI: 1S/C25H50O2/c1-3-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)



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.