Auranticin A

Base Information

• Chemical Name: Auranticin A
• CAS No.: 133943-50-7
• Molecular Formula: C24H24 O8
• Molecular Weight: 440.44
• DSSTox Substance ID: DTXSID301347684
• Metabolomics Workbench ID: 137474
• ChEMBL ID: CHEMBL472092
• Mol file: 133943-50-7.mol

Synonyms:auranticin A

Chemical Property of Auranticin A

Chemical Property:

• Vapor Pressure: 2.81E-19mmHg at 25°C
• Boiling Point: 677.4°Cat760mmHg
• Flash Point: 233°C
• PSA: 122.52000
• Density: 1.329g/cm³
• LogP: 4.43750
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 440.14711772
• Heavy Atom Count: 32
• Complexity: 774

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C1=CC(=C(C2=C1OC3=C(C(=CC(=C3CO)O)C(=CC(=O)O)C)C(=O)O2)C)OC
• Isomeric SMILES: C/C=C(\C)/C1=CC(=C(C2=C1OC3=C(C(=CC(=C3CO)O)/C(=C/C(=O)O)/C)C(=O)O2)C)OC