Docosahexaenoic acid methyl ester

enlarge

Systematic / IUPAC Name: Methyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

ID: Reference6675

Other Names: (4Z,7Z,10Z,13Z,16Z,19Z)-Methyl docosa-4,7,10,13,16,19-hexaenoate;
cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester;
Methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;
Methyl docosahexaenoate;
Cervonic acid methyl ester

Formula: C23H34O2

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 10400
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/3/2017 2:10:31 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
InChI Key VCDLWFYODNTQOT-JDPCYWKWSA-N
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC
CAS 2566907
Splash
Other Names (4Z,7Z,10Z,13Z,16Z,19Z)-Methyl docosa-4,7,10,13,16,19-hexaenoate;
cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester;
Methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate;
Methyl docosahexaenoate;
Cervonic acid methyl ester ;
DHA methyl ester

In Other Databases

ChemSpider 4926803
PubChem 6421262