cis-8,11,14-Eicosatrienoic acid ethyl ester - ≥98%, 100mg/ml in ethanol , CAS No.55968-21-3

CAS: 55968-21-3 Cat. No.: C347244 Molecular Weight: 334.54 PubChem CID: 6443558

GRADE & PURITY ≥98%, 100mg/ml in ethanol

Synonyms

Ethyl (8Z,11Z,14Z)-8,11,14-icosatrienoate | XJXHWCQMUAZGAN-ORZIMQNZSA-N | Dihomo-.gamma.-Linolenic Acid ethyl ester | Dihomo-gamma-Linolenic Acid ethyl ester | 8Z,11Z,14Z-Eicosatrienoic acid, ethyl ester | 8,11,14-Eicosatrienoic acid ethyl ester | CHEBI:1

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

228,229

Overview

Product Application：

cis-8,11,14-Eicosatrienoic Acid Ethyl Ester is the ethyl ester derivative of cis-8,11,14-Eicosatrienoic Acid;  a fatty acid with selective tumoricidal activity.

Synonyms：Ethyl DGLA

Specifications

Synonyms

Ethyl (8Z, 11Z, 14Z)-8, 11, 14-icosatrienoate | XJXHWCQMUAZGAN-ORZIMQNZSA-N | Dihomo-.gamma.-Linolenic Acid ethyl ester | Dihomo-gamma-Linolenic Acid ethyl ester | 8Z, 11Z, 14Z-Eicosatrienoic acid, ethyl ester | 8, 11, 14-Eicosatrienoic acid ethyl ester | CHEBI:1

Specifications & Purity

≥98%, 100mg/ml in ethanol

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC=CCC=CCCCCCCC(=O)OCC
• IUPAC Name: ethyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate
• InChIKey: XJXHWCQMUAZGAN-ORZIMQNZSA-N
• INCHI: 1S/C22H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15H,3-7,10,13,16-21H2,1-2H3/b9-8-,12-11-,15-14-
• Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC
• PubChem CID: 6443558
• Molecular Weight: 334.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: 0.15 M Tris-HCl pH 8.5: 1 mg/ml; DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 100 mg/ml; PBS (pH 7.2): <100 µg/ml
• Molecular Weight: 334.500 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 334.287 Da
• Monoisotopic Mass: 334.287 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 353.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1