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(19S,20R)-Epoxydocosahexaenoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(19S,20R)-Epoxydocosahexaenoic acid methyl ester
SpectraBase Compound ID KSH0FjufUge
InChI InChI=1S/C23H34O3/c1-3-21-22(26-21)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23(24)25-2/h4-5,8-11,14-17,21-22H,3,6-7,12-13,18-20H2,1-2H3/b5-4-,10-8-,11-9-,16-14-,17-15-/t21-,22+/m1/s1
InChIKey AIIHKDKWCDGEPV-KMYYMGKLSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXyWPDU56sG
Name (19S,20R)-Epoxydocosahexaenoic acid methyl ester
Alternate Name(s) methyl (4Z,7Z,10Z,13Z,16Z)-18-[(2S,3R)-3-ethyloxiranyl]-4,7,10,13,16-octadecapentaenoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-3-21-22(26-21)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23(24)25-2/h4-5,8-11,14-17,21-22H,3,6-7,12-13,18-20H2,1-2H3/b5-4-,10-8-,11-9-,16-14-,17-15-/t21-,22+/m1/s1
InChIKey AIIHKDKWCDGEPV-KMYYMGKLSA-N
Molecular Weight 358.522 g/mol
SMILES [C@@]1(O[C@@]1(CC)[H])(C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC)[H]
SPLASH splash10-0a6r-0009000000-3aaeede1d5efbd8b1a18
Source of Spectrum QC-11-858-1
Wiley ID 859737