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SOH-921 / ai-23:0-2OH / 2-Hydroxy-20-methyl-docosanoic acid ME

Names: Methyl 2-hydroxy-20-methyl-docosanoate;  2-Hydroxy-20-methyl-docosanoic acid methyl ester

Formula: C24H48O3

Molar mass: 384.641 Da

Monoisotopic mass: 384.360 Da

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

InChI Key: MENPCYCPZUUGLZ-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on Wax: 26.840

Non-derivatized:

Name: 2-Hydroxy-20-methyl-docosanoic acid

Formula: C23H46O3

Molar mass: 370.615 Da

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

InChI Key: ALYIKYZHKASNGR-UHFFFAOYSA-N

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



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.