Docosahexaenoic acid ethyl ester

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Systematic / IUPAC Name: Ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

ID: Reference6592

Other Names: (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester;
cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester;
Cervonic acid ethyl ester;
Ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;
Ethyl cis-4,7,10,13,16,19-docosahexaenoate ; more

Formula: C24H36O2

Spectral Data

Docosahexaenoic acid ethyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 15137
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/5/2017 8:48:48 AM
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Identificators

InChI InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChI Key ITNKVODZACVXDS-YNUSHXQLSA-N
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC
CAS 112867
Splash
Other Names (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester;
cis-4,7,10,13,16,19-Docosahexaenoic acid ethyl ester;
Cervonic acid ethyl ester;
Ethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;
Ethyl cis-4,7,10,13,16,19-docosahexaenoate;
Ethyl all-cis-docosa-4,7,10,13,16,19-hexaenoate;
Ethyl docosahexaenoate;
DHA ethyl ester

In Other Databases

PubChem 9831416
ChEMBL CHEMBL2447914
ChemSpider 8007148
ChEBI CHEBI:84945
KEGG C16185