14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide

Base Information

• Chemical Name: 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide
• CAS No.: 54603-10-0
• Molecular Formula: C24H34O7S
• Molecular Weight: 466.5876
• DSSTox Substance ID: DTXSID60969866

Synonyms:DTXSID60969866;14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide

Chemical Property of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.36g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 466.20252459
• Heavy Atom Count: 32
• Complexity: 965

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OS(=O)(=O)O
• Isomeric SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5[C@@]3(CC[C@@H](C5)OS(=O)(=O)O)C

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