Violanin

Base Information

• Chemical Name: Violanin
• CAS No.: 28463-30-1
• Deprecated CAS: 27253-63-0,1401-80-5,11021-46-8
• Molecular Formula: C42H47 O23 . Cl
• Molecular Weight: 955.274
• Mol file: 28463-30-1.mol

Synonyms:delphinidine-3-(p-coumaroylrutinoside)-5-glucoside;nasunin

Chemical Property of Violanin

Chemical Property:

• PSA: 378.04000
• LogP: -4.61360
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 13
• Exact Mass: 954.2196654
• Heavy Atom Count: 66
• Complexity: 1540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)OC(=O)C=CC7=CC=C(C=C7)O.[Cl-]
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O.[Cl-]