Methyl 9(E),11(E)-octadecadienoate - Moligand™, ≥98% , CAS No.13038-47-6

CAS: 13038-47-6 Cat. No.: M276399 Summenformel: C₁₉H₃₄O₂ Molekulargewicht: 294.47

GRADE & PURITY Moligand™, ≥98%

Synonyms

methyl (9E,11E)-octadeca-9,11-dienoate | Methyl trans,trans-9,11-octadecadienoate | (9E,11E)-9,11-Octadecadienoic acid methyl ester | Methyl 9(E),11(E)-Octadecadienoate | 9(E),11(E)-Conjugated Linoleic Acid methyl ester | 9E,11E-CLA methyl ester

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Methyl 9(E),11(E)-octadecadienoate is an isomer of 9(Z),11(E),13(E)-octadecatrienoic acid methyl ester and the methyl ester form of 9(Z),11(E),13(Z)-octadecatrienoic acid, which is found in wild growing pomegranate seed oil.

Specifications

Synonyme

methyl (9E,11E)-octadeca-9,11-dienoate | Methyl trans,trans-9,11-octadecadienoate | (9E,11E)-9,11-Octadecadienoic acid methyl ester | Methyl 9(E),11(E)-Octadecadienoate | 9(E),11(E)-Conjugated Linoleic Acid methyl ester | 9E,11E-CLA methyl ester

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Conjugated linoleic acid ester. Possible anticancer potential.s

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCCCCCC=CC=CCCCCCCCC(=O)OC
• IUPAC Name: methyl (9E,11E)-octadeca-9,11-dienoate
• InChIKey: KVIWYYOMPLJRMC-BNFZFUHLSA-N
• INCHI: 1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-11H,3-7,12-18H2,1-2H3/b9-8+,11-10+
• Isomere SMILES: CCCCCC/C=C/C=C/CCCCCCCC(=O)OC
• Molekulargewicht: 294.47
• Reaxy-Rn: 8271226
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8271226&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Fatty acid methyl esters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - Fatty acid methyl ester - Fatty acid 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
• Beschreibung: This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol
• Molekulargewicht: 294.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 294.256 Da
• Monoisotopic Mass: 294.256 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 279.000
• 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