|
|
MOU-024 / 20:1 n-9 / c11-20:1 |
Names: Methyl (Z)-icos-11-enoate; (Z)-Icos-11-enoic acid methyl ester; (Z)-11-Icosenoic acid methyl ester; 11Z-Icosenoic acid methyl ester; cis-11-Icosenoic acid methyl ester; Methyl (Z)-eicos-11-enoate; (Z)-Eicos-11-enoic acid methyl ester; (Z)-11-Eicosenoic acid methyl ester; 11Z-Eicosenoic acid methyl ester; cis-11-Eicosenoic acid methyl ester; Methyl gondoate; Gondoic acid methyl ester
Formula: C21H40O2
Molar mass: 324.546 Da
Monoisotopic mass: 324.303 Da
SMILES: CCCCCCCC/C=C\CCCCCCCCCC(=O)OC
InChI Key: RBKMRGOHCLRTLZ-KHPPLWFESA-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/h10-11H,3-9,12-20H2,1-2H3/b11-10-
Typical retention indexes:
- ECL on BPX70: 20.388
- ECL on Wax: 20.184
- ECL on DB225: 20.173
- ECL on 5% phenyl: 19.737
- ECL on Rxi-1: 19.690
- ECL on SLB-IL61: 20.154
- ECL on SLB-IL82: 20.477
- ECL on SLB-IL100: 20.586
- KI on Wax: 2645
- KI on DB225: 2617
- KI on 5% phenyl: 2302
Names: (Z)-Icos-11-enoic acid; (Z)-11-Icosenoic acid; 11Z-Icosenoic acid; cis-11-Icosenoic acid; (Z)-Eicos-11-enoic acid; (Z)-11-Eicosenoic acid; 11Z-Eicosenoic acid; cis-11-Eicosenoic acid; Gondoic acid
Formula: C20H38O2
Molar mass: 310.519 Da
SMILES: CCCCCCCC\C=C/CCCCCCCCCC(O)=O
InChI Key: BITHHVVYSMSWAG-KTKRTIGZSA-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/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
ChEBI code: CHEBI:32425
Lipid Maps code: LMFA01030085
|
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. |