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SOH-918 / i-20:0-2OH / 2-Hydroxy-18-methyl-nonadecanoic acid ME |
Names: Methyl 2-hydroxy-18-methylnonadecanoate; 2-Hydroxy-18-methylnonadecanoic acid methyl ester
Formula: C21H42O3
Molar mass: 342.561 Da
Monoisotopic mass: 342.313 Da
SMILES: CC(C)CCCCCCCCCCCCCCCC(O)C(=O)OC
InChI Key: LFKPTJLHMFKGTB-UHFFFAOYSA-N
InChI: 1S/C21H42O3/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(22)21(23)24-3/h19-20,22H,4-18H2,1-3H3
Typical retention indexes:
- ECL on Wax: 23.585
- ECL on 5% phenyl: 20.865
- KI on Wax: 2996
- KI on 5% phenyl: 2416
Name: 2-Hydroxy-18-methylnonadecanoic acid
Formula: C20H40O3
Molar mass: 328.534 Da
SMILES: CC(C)CCCCCCCCCCCCCCCC(O)C(O)=O
InChI Key: PDJOEVWYWZPEDG-UHFFFAOYSA-N
InChI: 1S/C20H40O3/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)20(22)23/h18-19,21H,3-17H2,1-2H3,(H,22,23)
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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. |