1,11,12,13,15-Pentahydroxypicras-3-ene-2,16-dione

Base Information

• Chemical Name: 1,11,12,13,15-Pentahydroxypicras-3-ene-2,16-dione
• CAS No.: 74133-46-3
• Molecular Formula: C20H28 O8
• Molecular Weight: 396.43
• DSSTox Substance ID: DTXSID80868443
• Mol file: 74133-46-3.mol

Synonyms:1,11,12,13,15-pentahydroxypicras-3-ene-2,16-dione;NSC 318448;DTXSID80868443;Picras-3-ene-2,16-dione, 1,11,12,13,15-pentahydroxy-, (1beta,11beta,12alpha,15beta)-

Chemical Property of 1,11,12,13,15-Pentahydroxypicras-3-ene-2,16-dione

Chemical Property:

• Vapor Pressure: 1.48E-17mmHg at 25°C
• Boiling Point: 612.4°C at 760 mmHg
• Flash Point: 215.9°C
• PSA: 144.52000
• Density: 1.453g/cm³
• LogP: -1.08610
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 396.17841785
• Heavy Atom Count: 28
• Complexity: 778

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(C2(C1CC3C4(C2C(C(C(C4C(C(=O)O3)O)(C)O)O)O)C)C)O