Isoauriculatin

Base Information

• Chemical Name: Isoauriculatin
• CAS No.: 30431-67-5
• Molecular Formula: C25H24 O6
• Molecular Weight: 420.4545
• DSSTox Substance ID: DTXSID40184515
• Nikkaji Number: J19.910I
• Wikidata: Q83055425
• Metabolomics Workbench ID: 22451
• ChEMBL ID: CHEMBL4213050
• Mol file: 30431-67-5.mol

Synonyms:Isoauriculatin;30431-67-5;CHEMBL4213050;DTXSID40184515;CHEBI:178568;LMPK12050314;5-hydroxy-7-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one

Chemical Property of Isoauriculatin

Chemical Property:

• Vapor Pressure: 4.96E-16mmHg at 25°C
• Boiling Point: 621.3°Cat760mmHg
• Flash Point: 213.3°C
• PSA: 89.13000
• Density: 1.277g/cm³
• LogP: 5.40040
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 420.15728848
• Heavy Atom Count: 31
• Complexity: 777

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC1=CC(=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)O)C