Bruceanic acid B

Base Information

• Chemical Name: Bruceanic acid B
• CAS No.: 132616-54-7
• Molecular Formula: C27H30 O12
• Molecular Weight: 546.52
• DSSTox Substance ID: DTXSID60927749
• Wikidata: Q82902407
• Mol file: 132616-54-7.mol

Synonyms:bruceanic acid B

Chemical Property of Bruceanic acid B

Chemical Property:

• Vapor Pressure: 6.79E-25mmHg at 25°C
• Boiling Point: 769.3°Cat760mmHg
• Flash Point: 256.5°C
• PSA: 182.96000
• Density: 1.5g/cm³
• LogP: 0.12350
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 546.17372639
• Heavy Atom Count: 39
• Complexity: 1080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CC2C34COC(C3C(C(=O)O2)OC(=O)C5=CC=CC=C5)(C(C(C4C1(C)CC(=O)O)O)O)C(=O)OC