3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide

Base Information

• Chemical Name: 3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide
• CAS No.: 30344-95-7
• Molecular Formula: C24H30 O6
• Molecular Weight: 414.4914
• NSC Number: 251753,135067
• DSSTox Substance ID: DTXSID70300140
• Mol file: 30344-95-7.mol

Synonyms:30344-95-7;3,14,16-trihydroxy-19-oxobufa-4,20,22-trienolide;NSC135067;DTXSID70300140;NSC251753;NSC-135067;NSC-251753;SCILLIGLAUCOSIDIN, 16-HYDROXY-;30344-96-8;(3.BETA.,14,16-TRIHYDROXY-19-OXOBUFA-4,20,22-TRIENOLIDE

Chemical Property of 3,14,16-Trihydroxy-19-oxobufa-4,20,22-trienolide

Chemical Property:

• Vapor Pressure: 8.05E-20mmHg at 25°C
• Boiling Point: 653°Cat760mmHg
• Flash Point: 226.2°C
• Density: 1.36g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 414.20423867
• Heavy Atom Count: 30
• Complexity: 873

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CC(C2C4=COC(=O)C=C4)O)O)CCC5=CC(CCC35C=O)O

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