Bonannione A

Base Information

• Chemical Name: Bonannione A
• CAS No.: 97126-57-3
• Molecular Formula: C25H28O5
• Molecular Weight: 408.494
• DSSTox Substance ID: DTXSID10420836
• Nikkaji Number: J1.068.809D,J691.524H
• Wikidata: Q82232130
• Metabolomics Workbench ID: 143799
• ChEMBL ID: CHEMBL374130
• Mol file: 97126-57-3.mol

Synonyms:bonannione A

Chemical Property of Bonannione A

Chemical Property:

• Vapor Pressure: 2.21E-17mmHg at 25°C
• Melting Point: 116 °C
• Boiling Point: 647.8°Cat760mmHg
• Flash Point: 221.6°C
• PSA: 86.99000
• Density: 1.219g/cm³
• LogP: 5.74510
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 408.19367399
• Heavy Atom Count: 30
• Complexity: 642

Purity/Quality:

99%+, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)/C)C