β-Eudesmol - ≥97% , CAS No.473-15-4

CAS: 473-15-4 Cat. No.: E463199 分子式: C15H26O 分子量: 222.37 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 528768833
• カノニカル・スマイル: 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
• 異性体SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(C)(C)O
• WGKドイツ: 3
• 分子量: 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
    • 分類 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Ethanol、DMSO
• 感度: Air sensitive
• 融点（°C）: 72 - 74 °C
• 分子量: 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