5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide

Base Information

• Chemical Name: 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide
• CAS No.: 39006-75-2
• Molecular Formula: C26H36O7
• Molecular Weight: 460.5598
• DSSTox Substance ID: DTXSID20959844
• Mol file: 39006-75-2.mol

Synonyms:DTXSID20959844;LS-52451;5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide

Chemical Property of 5,14-Dihydroxy-19-oxo-3-(propanoyloxy)card-20(22)-enolide

Chemical Property:

• Vapor Pressure: 4.85E-18mmHg at 25°C
• Boiling Point: 621.3°Cat760mmHg
• Flash Point: 206.2°C
• Density: 1.29g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 460.24610348
• Heavy Atom Count: 33
• Complexity: 897

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O
• Isomeric SMILES: CCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O