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SOH-707 / 18:0-2OH / 2-Hydroxyoctadecanoic acid ME |
Names: Methyl 2-hydroxyoctadecanoate; 2-Hydroxyoctadecanoic acid methyl ester; 2-Hydroxystearic acid methyl ester; Methyl 2-hydroxystearate
Formula: C19H38O3
Molar mass: 314.507 Da
Monoisotopic mass: 314.282 Da
SMILES: CCCCCCCCCCCCCCCCC(C(=O)OC)O
InChI Key: OUFCLLRNNJZLOX-UHFFFAOYSA-N
InChI: 1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18,20H,3-17H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 22.332
- ECL on Wax: 22.042
- ECL on DB225: 20.909
- ECL on 5% phenyl: 19.214
- ECL on Rxi-1: 19.155
- KI on Wax: 2837
- KI on DB225: 2694
- KI on 5% phenyl: 2250
Names: 2-Hydroxyoctadecanoic acid; 2-Hydroxystearic acid
Formula: C18H36O3
Molar mass: 300.481 Da
SMILES: CCCCCCCCCCCCCCCCC(O)C(O)=O
InChI Key: KIHBGTRZFAVZRV-UHFFFAOYSA-N
InChI: 1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
Lipid Maps code: LMFA02000120
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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. |