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MOH-962 / Ricinelaidic acid ME / 12-hydroxy-trans-9-octadecenoic acid ME |
Names: Methyl (9E,12R)-12-Hydroxy-9-octadecenoate; (9E,12R)-12-Hydroxy-9-octadecenoic acid methyl ester; 12R-Hydroxy-9E-octadecenoic acid methyl ester; Methyl ricinelaidate; Ricinelaidic acid methyl ester
Formula: C19H36O3
Molar mass: 312.492 Da
Monoisotopic mass: 312.266 Da
SMILES: CCCCCC[C@@H](O)C/C=C/CCCCCCCC(OC)=O
InChI Key: XKGDWZQXVZSXAO-LVMGUKCRSA-N
InChI: 1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10+/t18-/m1/s1
Typical retention indexes:
- ECL on BPX70: 25.245
- ECL on Wax: 23.694
- ECL on 5% phenyl: 19.667
- ECL on Rxi-1: 19.484
- KI on 5% phenyl: 2295
Names: (E,12R)-12-hydroxyoctadec-9-enoic acid; 12R-Hydroxy-9E-octadecenoic acid; Ricinelaidic acid
Formula: C18H34O3
Molar mass: 298.465 Da
SMILES: CCCCCC[C@@H](O)C\C=C\CCCCCCCC(O)=O
InChI Key: WBHHMMIMDMUBKC-XLNAKTSKSA-N
InChI: 1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m1/s1
ChEBI code: CHEBI:45478
Lipid Maps code: LMFA02000212
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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. |