3-Oxo-11-methoxytabersonine

Base Information

• Chemical Name: 3-Oxo-11-methoxytabersonine
• CAS No.: 102719-84-6
• Molecular Formula: C22H24 N2 O4
• Molecular Weight: 380.44
• DSSTox Substance ID: DTXSID00908017
• Mol file: 102719-84-6.mol

Synonyms:3-oxo-11-methoxy-tabersonine;3-oxo-11-methoxytabersonine

Chemical Property of 3-Oxo-11-methoxytabersonine

Chemical Property:

• Vapor Pressure: 1.43E-13mmHg at 25°C
• Boiling Point: 582.8°Cat760mmHg
• Flash Point: 306.3°C
• Density: 1.34g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 380.17360725
• Heavy Atom Count: 28
• Complexity: 789

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC12CC(=C3C4(C1N(CC4)C(=O)C=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC
• Isomeric SMILES: CC[C@]12CC(=C3C4([C@H]1N(CC4)C(=O)C=C2)C5=C(N3)C=C(C=C5)OC)C(=O)OC