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Methyl (all-Z)-5-Acetoxy-6,7-epoxyicosa-8,11,14,17-tetraenoate isomer
SpectraBase Compound ID GwNCCJjW9CT
InChI InChI=1S/C23H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-16-21-23(28-21)20(27-19(2)24)17-15-18-22(25)26-3/h5-6,8-9,11-12,14,16,20-21,23H,4,7,10,13,15,17-18H2,1-3H3/b6-5-,9-8-,12-11-,16-14-
InChIKey FISUWCWVKHMXSY-PNBXSEQMSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eck2StXIAQ3
Name Methyl (all-Z)-5-Acetoxy-6,7-epoxyicosa-8,11,14,17-tetraenoate isomer
Alternate Name(s) methyl 5-(acetyloxy)-5-{3-[(1Z,4Z,7Z,10Z)-1,4,7,10-tridecatetraenyl]-2-oxiranyl}pentanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-16-21-23(28-21)20(27-19(2)24)17-15-18-22(25)26-3/h5-6,8-9,11-12,14,16,20-21,23H,4,7,10,13,15,17-18H2,1-3H3/b6-5-,9-8-,12-11-,16-14-
InChIKey FISUWCWVKHMXSY-PNBXSEQMSA-N
Molecular Weight 390.520 g/mol
SMILES C1(OC1\C=C/C\C=C/C\C=C/C\C=C/CC)C(OC(=O)C)CCCC(=O)OC
SPLASH splash10-0006-9000000000-300ae7ed319e91b40581
Source of Spectrum K-2001-1944-0
Wiley ID 1579471