Pinolenic Acid methyl ester - ≥98%, ~10 mg/mL in ethanol , CAS No.38406-57-4

CAS: 38406-57-4 Cat. No.: P351192 Peso molecular: 292.5 PubChem CID: 35027731

GRADE & PURITY ≥98%, ~10 mg/mL in ethanol

Synonyms

Pinolenic Acid methyl ester | Methyl 5,9,12-octadecatrienoate | Methyl (5Z,9Z,12Z)-5,9,12-octadecatrienoate | HMS3650G18 | methyl (5Z,9Z,12Z)-octadeca-5,9,12-trienoate | DTXSID801347758 | SR-01000946286 | SR-01000946286-1 | Methyl 5(Z),9(Z),12(Z)-Octadeca

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Pinolenic Acid methyl ester is a polyunsaturated fatty acid found in maritime pine (Pinus pinaster) and Korean pine (Pinus orientalis) seed oils, where both oils have lipid-lowering properties. A diet containing maritime pine seed oil (MPSO) lowered HDL and ApoA-I levels in transgenic

Specifications

Sinónimos

Pinolenic Acid methyl ester | Methyl 5, 9, 12-octadecatrienoate | Methyl (5Z, 9Z, 12Z)-5, 9, 12-octadecatrienoate | HMS3650G18 | methyl (5Z, 9Z, 12Z)-octadeca-5, 9, 12-trienoate | DTXSID801347758 | SR-01000946286 | SR-01000946286-1 | Methyl 5(Z), 9(Z), 12(Z)-Octadeca

Especificaciones y pureza

≥98%, ~10 mg/mL in ethanol

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCC=CCC=CCCC=CCCCC(=O)OC
• IUPAC Name: methyl (5Z,9Z,12Z)-octadeca-5,9,12-trienoate
• InChIKey: UHRQLTPSFITDRF-BYKHLRFOSA-N
• INCHI: 1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,14-15H,3-6,9,12-13,16-18H2,1-2H3/b8-7-,11-10-,15-14-
• Isómeros SMILES: CCCCC/C=C\C/C=C\CC/C=C\CCCC(=O)OC
• PubChem CID: 35027731
• Peso molecular: 292.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (3 mg/ml at 25° C), DMSO (~30 mg/ml), DMF (~30 mg/ml), ethanol:PBS (pH 7.2)(1:1) (~0.5 mg/ml), and ethanol.
• Índice de refracción: n20D1.48 (Predicted)
• Punto de ebullición (°C): 78° C
• Peso molecular: 292.500 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 292.24 Da
• Monoisotopic Mass: 292.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 314.000
• 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