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DIU-970 / 18:2 n-6 ca / c9,a12-18:2 |
Names: Methyl (Z)-Octadec-9-en-12-ynoate; (Z)-Octadec-9-en-12-ynoic acid methyl ester; (Z)-9-Octadecen-12-ynoic acid methyl ester; 9Z-octadec-9-en-12-ynoic acid methyl ester; cis-9-Octadecen-12-ynoic acid methyl ester; Crepenynic acid methyl ester
Formula: C19H32O2
Molar mass: 292.461 Da
Monoisotopic mass: 292.240 Da
SMILES: CCCCCC#CC/C=C\CCCCCCCC(=O)OC
InChI Key: PBUBQZYMYOKABE-KHPPLWFESA-N
InChI: 1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-6,9,12-18H2,1-2H3/b11-10-
Typical retention indexes:
- ECL on BPX70: 20.675
- ECL on Wax: 20.306
- ECL on 5% phenyl: 18.241
- ECL on Rxi-1: 18.048
- KI on Wax: 2658
- KI on 5% phenyl: 2152
Names: (Z)-Octadec-9-en-12-ynoic acid; (Z)-9-Octadecen-12-ynoic acid; 9Z-octadec-9-en-12-ynoic acid; cis-9-Octadecen-12-ynoic acid; Crepenynic acid methyl ester
Formula: C18H30O2
Molar mass: 278.434 Da
SMILES: CCCCCC#CC\C=C/CCCCCCCC(O)=O
InChI Key: SAOSKFBYQJLQOS-KTKRTIGZSA-N
InChI: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-
ChEBI code: CHEBI:16423
Lipid Maps code: LMFA01030742
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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. |