www.chrombox.org

SOH-922 / i-24:0-2OH / 2-Hydroxy-22-methyl-tricosanoic acid ME

Names: Methyl 2-hydroxy-22-methyltricosanoate;  2-Hydroxy-22-methyltricosanoic acid methyl ester

Formula: C25H50O3

Molar mass: 398.668 Da

Monoisotopic mass: 398.376 Da

SMILES: CC(C)CCCCCCCCCCCCCCCCCCCC(O)C(=O)OC

InChI Key: LTWCMIHISIOFPJ-UHFFFAOYSA-N

InChI: 1S/C25H50O3/c1-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28-3/h23-24,26H,4-22H2,1-3H3

Typical retention indexes:
- ECL on Wax: 27.680

Non-derivatized:

Name: 2-Hydroxy-22-methyltricosanoic acid

Formula: C24H48O3

Molar mass: 384.641 Da

SMILES: CC(C)CCCCCCCCCCCCCCCCCCCC(O)C(O)=O

InChI Key: DVLZPXHAPNBGTD-UHFFFAOYSA-N

InChI: 1S/C24H48O3/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23(25)24(26)27/h22-23,25H,3-21H2,1-2H3,(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.