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SOH-708 / 18:0-12OH / 12-Hydroxyoctadecanoic acid ME |
Names: Methyl 12-hydroxyoctadecanoate; 12-Hydroxyoctadecanoic acid methyl ester; Methyl-12-hydroxystearate; 12-Hydroxystearic acid methyl ester
Formula: C19H38O3
Molar mass: 314.507 Da
Monoisotopic mass: 314.282 Da
SMILES: CCCCCCC(CCCCCCCCCCC(=O)OC)O
InChI Key: RVWOWEQKPMPWMQ-UHFFFAOYSA-N
InChI: 1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
Typical retention indexes:
- ECL on BPX70: 25.412
- ECL on Wax: 23.829
- ECL on DB225: 22.994
- ECL on 5% phenyl: 19.943
- ECL on Rxi-1: 19.790
- KI on DB225: 2912
- KI on 5% phenyl: 2323
Names: 12-Hydroxyoctadecanoic acid; 12-Hydroxystearic acid
Formula: C18H36O3
Molar mass: 300.481 Da
SMILES: CCCCCCC(O)CCCCCCCCCCC(O)=O
InChI Key: ULQISTXYYBZJSJ-UHFFFAOYSA-N
InChI: 1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
Lipid Maps code: LMFA02000130
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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. |