www.chrombox.org

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: 20.481
- ECL on BP20: 20.272
- ECL on SLB-IL61: 20.254
- ECL on SLB-IL82: 20.597
- ECL on SLB-IL100: 20.721

Non-derivatized:

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



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.