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MOU-087 / 20:1 n-7 / c13-20:1 |
Names: Methyl (Z)-icos-13-enoate; (Z)-Icos-13-enoic acid methyl ester; (Z)-13-Icosenoic acid methyl ester; 13Z-Icosenoic acid methyl ester; cis-13-Icosenoic acid methyl ester; Methyl (Z)-eicos-13-enoate; (Z)-Eicos-13-enoic acid methyl ester; (Z)-13-Eicosenoic acid methyl ester; 13Z-Eicosenoic acid methyl ester; cis-13-Eicosenoic acid methyl ester
Formula: C21H40O2
Molar mass: 324.546 Da
Monoisotopic mass: 324.303 Da
SMILES: CCCCCC/C=C\CCCCCCCCCCCC(=O)OC
InChI Key: XQXARCJTXXEQEX-HJWRWDBZSA-N
InChI: 1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h8-9H,3-7,10-20H2,1-2H3/b9-8-
Typical retention indexes:
- ECL on BPX70: 20.480
- ECL on Wax: 20.272
- ECL on 5% phenyl: 19.801
- ECL on Rxi-1: 19.756
- ECL on SLB-IL61: 20.254
- ECL on SLB-IL82: 20.597
- ECL on SLB-IL100: 20.721
- KI on Wax: 2654
- KI on 5% phenyl: 2309
Names: (Z)-Icos-13-enoic acid; (Z)-13-Icosenoic acid; 13Z-Icosenoic acid; cis-13-Icosenoic acid; (Z)-Eicos-13-enoic acid; (Z)-13-Eicosenoic acid; 13Z-Eicosenoic acid; cis-13-Eicosenoic acid
Formula: C20H38O2
Molar mass: 310.519 Da
SMILES: CCCCCC\C=C/CCCCCCCCCCCC(O)=O
InChI Key: URXZXNYJPAJJOQ-FPLPWBNLSA-N
InChI: 1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
Lipid Maps code: LMFA01030367
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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. |