Aspidin

Base Information

• Chemical Name: Aspidin
• CAS No.: 584-28-1
• Molecular Formula: C25H32 O8
• Molecular Weight: 460.524
• UNII: N21SD2R570
• DSSTox Substance ID: DTXSID00973947
• Nikkaji Number: J13.669G
• Wikidata: Q27105862,Q105210925
• Metabolomics Workbench ID: 68129
• ChEMBL ID: CHEMBL4085355
• Mol file: 584-28-1.mol

Synonyms:aspidin;aspidin BB

Chemical Property of Aspidin

Chemical Property:

• Vapor Pressure: 1.57E-20mmHg at 25°C
• Melting Point: 124-125°
• Boiling Point: 704.9°Cat760mmHg
• PKA: 4.50±1.00(Predicted)
• Flash Point: 236.6°C
• PSA: 141.36000
• Density: 1.285g/cm³
• LogP: 4.54240
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 460.20971797
• Heavy Atom Count: 33
• Complexity: 853

Purity/Quality:

99%, ^*data from raw suppliers

ASPIDIN BB 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C(C(=C2O)C)OC)C(=O)CCC)O)O

Technology Process of Aspidin

There total 2 articles about Aspidin 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:

→ 2-butyryl-6-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone (584-28-1)

Guidance literature:

With potassium hydroxide; formaldehyd;

Reference yield:

→ 2-butyryl-6-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone (584-28-1)

Guidance literature: