3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide

Base Information

• Chemical Name: 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide
• CAS No.: 17304-98-2
• Molecular Formula: C25H31BrO6
• Molecular Weight: 507.414
• NSC Number: 98016
• DSSTox Substance ID: DTXSID60938279

Synonyms:17304-98-2;NSC98016;3-[(bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide;DTXSID60938279;NSC-98016

Chemical Property of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide

Chemical Property:

• Vapor Pressure: 2.81E-19mmHg at 25°C
• Boiling Point: 643.6°Cat760mmHg
• Flash Point: 343°C
• Density: 1.45g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 506.13040
• Heavy Atom Count: 32
• Complexity: 910

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1=CCC2C4=CC(=O)OC4)CCC5(C3(CCC(C5)OC(=O)CBr)C=O)O

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