Thunberginol D

Base Information

• Chemical Name: Thunberginol D
• CAS No.: 147517-07-5
• Molecular Formula: C15H12 O6
• Molecular Weight: 288.25
• UNII: JJX5KK3ZKU
• DSSTox Substance ID: DTXSID50933137
• Nikkaji Number: J514.558I
• Wikipedia: Thunberginol_D
• Wikidata: Q7798881
• Metabolomics Workbench ID: 143469
• ChEMBL ID: CHEMBL71702
• Mol file: 147517-07-5.mol

Synonyms:thunberginol D

Chemical Property of Thunberginol D

Chemical Property:

• Vapor Pressure: 3.45E-17mmHg at 25°C
• Boiling Point: 644.1°C at 760 mmHg
• PKA: 8.05±0.40(Predicted)
• Flash Point: 249.2°C
• PSA: 107.22000
• Density: 1.586g/cm³
• LogP: 1.96320
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 288.06338810
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O

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