Docosapentaenoic acid methyl ester

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

ID: Reference6922

Other Names: (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoic acid methyl ester;
(7Z,10Z,13Z,16Z,19Z)-Methyl docosa-7,10,13,16,19-pentaenoate;
cis-7,10,13,16,19-Docosapentaenoic acid methyl ester;
Methyl all-cis-7,10,13,16,19-docosapentaenoate

Formula: C23H36O2

Spectral Data

Docosapentaenoic 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 1
No. of Spectra 3610
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2017 7:00:32 AM
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Identificators

InChI InChI=1S/C23H36O2/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/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChI Key PTFHIRHGARALFY-JEBPEJKESA-N
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC
CAS 108698028
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Other Names (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaenoic acid methyl ester;
(7Z,10Z,13Z,16Z,19Z)-Methyl docosa-7,10,13,16,19-pentaenoate;
cis-7,10,13,16,19-Docosapentaenoic acid methyl ester;
Methyl all-cis-7,10,13,16,19-docosapentaenoate

In Other Databases

PubChem 14122980
ChemSpider 21169429