Psilostachyin A

Base Information

• Chemical Name: Psilostachyin A
• CAS No.: 3533-47-9
• Molecular Formula: C15H20O5
• Molecular Weight: 280.32
• DSSTox Substance ID: DTXSID201316997
• Nikkaji Number: J16.362G
• Wikipedia: Psilostachyin
• Wikidata: Q105119012
• Metabolomics Workbench ID: 129954
• ChEMBL ID: CHEMBL270060
• Mol file: 3533-47-9.mol

Synonyms:psilostachyin A

Chemical Property of Psilostachyin A

Chemical Property:

• Melting Point: 194-195 °C
• Boiling Point: 398.5±12.0 °C(Predicted)
• PKA: 13.25±0.40(Predicted)
• PSA: 72.83000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.34090
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 280.13107373
• Heavy Atom Count: 20
• Complexity: 499

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C(C13CCC(=O)O3)(C)O)OC(=O)C2=C
• Isomeric SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]([C@@]13CCC(=O)O3)(C)O)OC(=O)C2=C

Technology Process of Psilostachyin A

There total 1 articles about Psilostachyin A which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

coronopilin (65207-62-7,2571-81-5) → psilostachyin (3533-47-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1016/j.bmcl.2011.06.037

upstream raw materials:

coronopilin