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SOH-920 / i-22:0-2OH / 2-Hydroxy-20-methyl-heneicosanoic acid ME

Names: Methyl 2-Hydroxy-20-methyl-henicosanoate;  2-Hydroxy-20-methyl-henicosanoic acid methyl ester;  Methyl 2-Hydroxy-20-methyl-heneicosanoate;  2-Hydroxy-20-methyl-heneicosanoic acid methyl ester

Formula: C23H46O3

Molar mass: 370.615 Da

Monoisotopic mass: 370.345 Da

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

InChI Key: JWHNFRKGTQSFSP-UHFFFAOYSA-N

InChI: 1S/C23H46O3/c1-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(24)23(25)26-3/h21-22,24H,4-20H2,1-3H3

Typical retention indexes:
- ECL on Wax: 25.633

Non-derivatized:

Names: 2-Hydroxy-20-methyl-henicosanoic acid;  2-Hydroxy-20-methyl-heneicosanoic acid

Formula: C22H44O3

Molar mass: 356.588 Da

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

InChI Key: AVOKUFLHYISCSO-UHFFFAOYSA-N

InChI: 1S/C22H44O3/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(23)22(24)25/h20-21,23H,3-19H2,1-2H3,(H,24,25)



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.