Resibufagin

Base Information

• Chemical Name: Resibufagin
• CAS No.: 20987-24-0
• Molecular Formula: C24H30O5
• Molecular Weight: 398.492
• NSC Number: 234206
• DSSTox Substance ID: DTXSID60474925
• Mol file: 20987-24-0.mol

Synonyms:RESIBUFAGIN;20987-24-0;(1R,2S,4R,7R,10S,11R,14S,16R)-14-hydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde;DTXSID60474925;NSC234206;NSC-234206;E88863;5.beta.-Bufa-20, 14,15.beta.-epoxy-3.beta.-hydroxy-19-oxo-;Bufa-20, 14,15-epoxy-3-hydroxy-19-oxo-, (3.beta.,5.beta.,15.beta.)-

Chemical Property of Resibufagin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 592.1°Cat760mmHg
• PKA: 14.82±0.70(Predicted)
• Flash Point: 205.2°C
• PSA: 80.04000
• Density: 1.3g/cm³
• LogP: 3.43730
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 398.20932405
• Heavy Atom Count: 29
• Complexity: 831

Purity/Quality:

99% ^*data from raw suppliers

Resibufagin 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C14C(O4)CC2C5=COC(=O)C=C5)CCC6C3(CCC(C6)O)C=O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@]14[C@H](O4)CC2C5=COC(=O)C=C5)CC[C@H]6[C@@]3(CC[C@@H](C6)O)C=O