Benastatin B

Base Information

• Chemical Name: Benastatin B
• CAS No.: 138968-86-2
• Molecular Formula: C30H30 O7
• Molecular Weight: 502.55
• DSSTox Substance ID: DTXSID90160849
• Nikkaji Number: J492.999C
• Wikidata: Q75070309
• Metabolomics Workbench ID: 116026
• Mol file: 138968-86-2.mol

Synonyms:benastatin B;benastatin-B

Chemical Property of Benastatin B

Chemical Property:

• Vapor Pressure: 3.11E-24mmHg at 25°C
• Boiling Point: 759.3°C at 760 mmHg
• PKA: 2.99±0.40(Predicted)
• Flash Point: 426.9°C
• PSA: 135.29000
• Density: 1.372g/cm³
• LogP: 5.57580
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 502.19915329
• Heavy Atom Count: 37
• Complexity: 872

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=C(C(=C2C(=C1)CCC3=C(C4=C(C=C32)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)O)C(=O)O

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