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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
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)
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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. |