Aurantinin B

Base Information

• Chemical Name: Aurantinin B
• CAS No.: 97707-52-3
• Molecular Formula: C44H60O12
• Molecular Weight: 780.94
• Mol file: 97707-52-3.mol

Synonyms:aurantinin B

Chemical Property of Aurantinin B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 964.6°C at 760 mmHg
• Flash Point: 285.2°C
• PSA: 197.12000
• Density: 1.28g/cm³
• LogP: 4.91570
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 780.40847734
• Heavy Atom Count: 56
• Complexity: 1730

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C(C1OC3C(C(=O)C(C(O3)C)O)O)C=C(C(C4=C5C(C(CC5=C(C(=O)OC(=O)C24)C)O)C)C=CC=CC=C(C)CC(C)CC(C(C)C(=O)O)O)C
• Isomeric SMILES: CC1CCC2C(C1OC3C(C(=O)C(C(O3)C)O)O)C=C(C(/C/4=C/5\C(C(C\C5=C(\C(=O)OC(=O)C24)/C)O)C)/C=C/C=C/C=C(\C)/CC(C)CC(C(C)C(=O)O)O)C