Neocynaversicoside

Base Information

• Chemical Name: Neocynaversicoside
• CAS No.: 132160-34-0
• Molecular Formula: C28H38 O11
• Molecular Weight: 550.59
• Mol file: 132160-34-0.mol

Synonyms:neocynapanogenin 3-O-beta-D-thevetopyranoside;neocynaversicoside

Chemical Property of Neocynaversicoside

Chemical Property:

• Vapor Pressure: 8.72E-31mmHg at 25°C
• Boiling Point: 815.3°Cat760mmHg
• PKA: 12.91±0.70(Predicted)
• Flash Point: 270.1°C
• PSA: 150.21000
• Density: 1.41g/cm³
• LogP: 0.73800
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 550.24141202
• Heavy Atom Count: 39
• Complexity: 1090

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CC=C5C6C(COC6(OC5=O)C)OC(=O)C4C(C=C3C2)O)C)O)OC)O
• Isomeric SMILES: CC1C(C(C(C(O1)OC2CCC3(C4C/C=C\5/C6C(COC6(OC5=O)C)OC(=O)C4C(C=C3C2)O)C)O)OC)O

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