β-Eudesmol - ≥97% , CAS No.473-15-4

CAS: 473-15-4 Cat. No.: E463199 Fórmula: C15H26O Peso molecular: 222.37 Número CE: 610-334-4

GRADE & PURITY ≥97%

Synonyms

beta-Eudesmol | beta-Selinenol | (2R,4aR,8aS)-Decahydro-8-methylene-α,α,4a-trimethyl-2-naphthylmethanol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

Description

β-Eudesmol is an aromatic, oxygenated sesquiterpene compound. It is primarily observed in the bark ofmangoliatrees and can also be extracted from other medical herbs such asCryptomeria japonica,Atractylodes lancea,Pterocarpus santalinus,Ginkgo biloba, andNardostachys jatamansi.β-Eudesmol has been used:as a treatment to test its antioxidant, anti-inflammatory, cell preservation effects on human dermal fibroblasts (HDFs)as a reference standard to investigate if metabolically engineeredE. coliextracted terpene synthase (Tps) genes encode for β-eudesmol synthase by using gas chromatography-mass spectrometry (GC/MS) analysisto test its antiviral effects against herpes simplex virus type 1 (HSV-1)to test its reversal effects of cocaine-induced planarian behavior

Specifications

Sinónimos

beta-Eudesmol | beta-Selinenol | (2R,4aR,8aS)-Decahydro-8-methylene-α,α,4a-trimethyl-2-naphthylmethanol

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528768833
• Sorrisos canónicos: CC12CCCC(=C)C1CC(CC2)C(C)(C)O
• IUPAC Name: 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol
• InChIKey: BOPIMTNSYWYZOC-VNHYZAJKSA-N
• INCHI: 1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1
• SMILES isoméricas: C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O
• WGK Alemanha: 3
• Peso molecular: 222.37
• Reaxy-Rn: 1952404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1952404&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.
• External Descriptors: Eudesmanes

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

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Ethanol、DMSO
• Sensibilidade: Air sensitive
• Ponto de fusão (°C): 72 - 74 °C
• Peso molecular: 222.370 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1