7,14,20-Trihydroxykaur-16-ene-11,15-dione

Base Information

• Chemical Name: 7,14,20-Trihydroxykaur-16-ene-11,15-dione
• CAS No.: 81126-70-7
• Molecular Formula: C20H28 O5
• Molecular Weight: 348.43
• DSSTox Substance ID: DTXSID701001799
• Mol file: 81126-70-7.mol

Synonyms:7,14,20-trihydroxykaur-16-ene-11,15-dione;amethystoidin A

Chemical Property of 7,14,20-Trihydroxykaur-16-ene-11,15-dione

Chemical Property:

• Vapor Pressure: 4.03E-15mmHg at 25°C
• Boiling Point: 565.1°C at 760 mmHg
• Flash Point: 309.6°C
• PSA: 94.83000
• Density: 1.3g/cm³
• LogP: 1.24740
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 348.19367399
• Heavy Atom Count: 25
• Complexity: 667

Purity/Quality:

99% ^*data from raw suppliers

Amethystoidin A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC2(C1CC(C34C2C(=O)CC(C3O)C(=C)C4=O)O)CO)C
• Isomeric SMILES: CC1(CCC[C@@]2([C@@H]1C[C@H](C34[C@H]2C(=O)CC([C@@H]3O)C(=C)C4=O)O)CO)C