Dióxido de escualeno 2,3:22,23 - ≥98% , CAS No.31063-19-1

CAS: 31063-19-1 Cat. No.: S334425 Peso molecular: 442.72 PubChem CID: 6440985

GRADE & PURITY ≥98%

Synonyms

2,3,22,23-Dioxidosqualene | BDBM50280128 | 3-[18-(3,3-dimetil-2-oxiranil)-3,7,12,16-tetrametil-(3E,7E,11E,15E)-3,7,11,15-octadecatetraenil]-2,2-dimetiloxirano | dioxidosqualene | Squalene 2,3:22,23-dióxido | Escualeno 2,3,22,23-dióxido | 3-[(3E,7E,11E,1

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

El escualeno 2,3:22,23-dióxido es un sustrato de la oxidosqualene ciclasa que forma 24,25-oxidolanosterol. En células de ovario de hámster chino, el escualeno 2,3:22,23-dióxido se acumula durante la inhibición de la biosíntesis del colesterol.

Specifications

Sinónimos

2, 3, 22, 23-Dioxidosqualene | BDBM50280128 | 3-[18-(3, 3-dimetil-2-oxiranil)-3, 7, 12, 16-tetrametil-(3E, 7E, 11E, 15E)-3, 7, 11, 15-octadecatetraenil]-2, 2-dimetiloxirano | dioxidosqualene | Squalene 2, 3:22, 23-dióxido | Escualeno 2, 3, 22, 23-dióxido | 3-[(3E, 7E, 11E, 1

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764193
• Sonrisas canónicas: CC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)CCC=C(C)CCC2C(O2)(C)C
• IUPAC Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
• InChIKey: KABSNIWLJXCBGG-TXLDAEQNSA-N
• INCHI: 1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+
• Isómeros SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
• PubChem CID: 6440985
• Peso molecular: 442.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Triterpenoid - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• Sensibilidad: Light sensitive
• Peso molecular: 442.700 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 442.381 Da
• Monoisotopic Mass: 442.381 Da
• Topological Polar Surface Area: 25.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1