Bufarenogin

Base Information

• Chemical Name: Bufarenogin
• CAS No.: 17008-65-0
• Molecular Formula: C24H32 O6
• Molecular Weight: 416.5073
• DSSTox Substance ID: DTXSID10937732
• Nikkaji Number: J82.334A
• Wikidata: Q82913945
• Metabolomics Workbench ID: 128658
• ChEMBL ID: CHEMBL2385665
• Mol file: 17008-65-0.mol

Synonyms:bufarenogin

Chemical Property of Bufarenogin

Chemical Property:

• Vapor Pressure: 7.65E-19mmHg at 25°C
• Boiling Point: 635.8°Cat760mmHg
• Flash Point: 218.7°C
• PSA: 107.97000
• Density: 1.349g/cm³
• LogP: 2.39170
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 416.21988874
• Heavy Atom Count: 30
• Complexity: 847

Purity/Quality:

≥98% ^*data from raw suppliers

Bufarenogin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(=O)C(C4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)[C@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O

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