シス-11,14-エイコサジエン酸メチルエステル - ≥98%以上(GC) , CAS No.2463-02-7

CAS: 2463-02-7 Cat. No.: E140067 分子式: C₂₁H₃₈O₂ 分子量: 322.53 EC番号: 680-554-3

GRADE & PURITY ≥98%(GC)

Synonyms

2463-02-7|11,14-エイコサジエン酸メチルエステル|メチル(11E,14E)-イコサ-11,14-ジエノエート|11,14-エイコサジエン酸メチルエステル|エイコサジエン酸(すべてシス-11,14)メチルエステル|シス-11,14-エイコサジエン酸メチルエステル|メチルイコサ-11,14-ジエノエート|SCHEMBL8856554|DTXSID60

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

Specifications

同義語

2463-02-7 | 11,14-エイコサジエン酸メチルエステル | メチル(11E,14E)-イコサ-11,14-ジエノエート | 11,14-エイコサジエン酸メチルエステル | エイコサジエン酸(すべてシス-11,14)メチルエステル | シス-11,14-エイコサジエン酸メチルエステル | メチルイコサ-11,14-ジエノエート | SCHEMBL8856554 | DTXSID60

仕様と純度

≥98%以上(GC)

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

純度

≥98%(GC)

名前と識別子

パブケム・シド

528776443

カノニカル・スマイル

CCCCCC=CCC=CCCCCCCCCCC(=O)OC

IUPAC Name

methyl (11E,14E)-icosa-11,14-dienoate

InChIKey

GWJCFAOQCNNFAM-ZDVGBALWSA-N

INCHI

1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7+,11-10+

異性体SMILES

CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC

WGKドイツ

3

分子量

322.53

Reaxy-Rn

1713327

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1713327&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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
• 説明: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

化学的性質と物理的性質

• 分子量: 322.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 322.287 Da
• Monoisotopic Mass: 322.287 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 305.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1