3-Epiwilsonine , CAS No.39024-15-2

CAS: 39024-15-2 Cat. No.: E1270293 PubChem CID: 91895284

Storage

Room temperature

Shipped In

Normal

仕様

保管条件

Room temperature

入荷

Normal

名前と識別子

カノニカル・スマイル

COC1CC23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC

IUPAC Name

(1R,13R,15S,18R)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene

InChIKey

JCKPCZAYDZJZIL-NDSDBLNTSA-N

INCHI

1S/C20H25NO4/c1-22-14-6-7-20-18(25-20)12-21-8-4-5-13-9-16(23-2)17(24-3)10-15(13)19(20,21)11-14/h6-7,9-10,14,18H,4-5,8,11-12H2,1-3H3/t14-,18+,19+,20+/m0/s1

異性体SMILES

CO[C@@H]1C[C@]23C4=CC(=C(C=C4CCCN2C[C@@H]5[C@]3(O5)C=C1)OC)OC

代替CAS番号

39024-15-2

PubChem CID

91895284

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 分類 Erythrina alkaloids
      • Subclass Homoerythrinane alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: Erythrina alkaloids
• Subclass: Homoerythrinane alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Homoerythrinane alkaloids
• Alternative Parents: Benzazepines Indoles and derivatives Anisoles Azepines Aralkylamines Alkyl aryl ethers N-alkylpyrrolidines Morpholines Trialkylamines Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Homoerythrinane skeleton - Benzazepine - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Oxazinane - Morpholine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Oxirane - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as homoerythrinane alkaloids. These are erythrina alkaloids predominantly possessing a 6-5-7-6-membered indolobenzazepine skeleton or a derivative thereof.
• 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

化学的性質と物理的性質

• 分子量: 343.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 343.178 Da
• Monoisotopic Mass: 343.178 Da
• Topological Polar Surface Area: 43.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 568.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 39024-15-2. InChIKey JCKPCZAYDZJZIL-NDSDBLNTSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.