Wushanicariin

Base Information

• Chemical Name: Wushanicariin
• CAS No.: 115516-53-5
• Molecular Formula: C27H30 O11
• Molecular Weight: 530.52
• DSSTox Substance ID: DTXSID60151128
• Mol file: 115516-53-5.mol

Synonyms:3',5',7-trihydroxy-4'-methoxy-6-(3,3-dimethylallyl)flavone-7-glucopyranoside;wushanicariin

Chemical Property of Wushanicariin

Chemical Property:

• Vapor Pressure: 4.27E-28mmHg at 25°C
• Boiling Point: 815.2°C at 760 mmHg
• PKA: 9.54±0.15(Predicted)
• Flash Point: 272.6°C
• PSA: 179.28000
• Density: 1.461g/cm³
• LogP: 1.56720
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 530.17881177
• Heavy Atom Count: 38
• Complexity: 874

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=CC2=O)C4=CC(=C(C(=C4)O)OC)O)C
• Isomeric SMILES: CC(=CCC1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=CC2=O)C4=CC(=C(C(=C4)O)OC)O)C

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