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SOH-919 / ai-21:0-2OH / 2-Hydroxy-18-methyl-eicosanoic acid ME

Names: Methyl 2-hydroxy-18-methyl-eicosanoate;  2-Hydroxy-18-methylnonadecanoic acid methyl ester

Formula: C22H44O3

Molar mass: 356.588 Da

Monoisotopic mass: 356.329 Da

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

InChI Key: QHJIGENSNQZCLT-UHFFFAOYSA-N

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

Typical retention indexes:
- ECL on Wax: 24.787

Non-derivatized:

Name: 2-Hydroxy-18-methyl-eicosanoic acid

Formula: C21H42O3

Molar mass: 342.561 Da

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

InChI Key: LMEGQFGNKLZNEC-UHFFFAOYSA-N

InChI: 1S/C21H42O3/c1-3-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(22)21(23)24/h19-20,22H,3-18H2,1-2H3,(H,23,24)



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.