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OXP-971 / 9,10-epoxy-18:0 / 9,10-epoxy-Octadecanoic acid ME |
Names: Methyl 8-(3-octyloxiran-2-yl)octanoate; Methyl 9,10-epoxy-octadecanoate; Methyl 9,10-Epoxystearate; 8-(3-octyloxiran-2-yl)octanoic acid methyl ester; 9,10-Epoxyoctadecanoic acid methyl ester
Formula: C19H36O3
Molar mass: 312.492 Da
Monoisotopic mass: 312.266 Da
SMILES: CCCCCCCCC1C(CCCCCCCC(=O)OC)O1
InChI Key: CAMHHLOGFDZBBG-UHFFFAOYSA-N
InChI: 1S/C19H36O3/c1-3-4-5-6-8-11-14-17-18(22-17)15-12-9-7-10-13-16-19(20)21-2/h17-18H,3-16H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 24.300
- ECL on Wax: 22.054
- ECL on 5% phenyl: 19.648
- ECL on Rxi-1: 19.479
- KI on Wax: 2838
- KI on 5% phenyl: 2293
Names: 8-(3-octyloxiran-2-yl)octanoic acid; 9,10-epoxy-Octadecanoic acid; 9,10-epoxy-Stearic acid
Formula: C18H34O3
Molar mass: 298.465 Da
SMILES: CCCCCCCCC1OC1CCCCCCCC(O)=O
InChI Key: IMYZYCNQZDBZBQ-UHFFFAOYSA-N
InChI: 1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
Lipid Maps code: LMFA02000326
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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. |