Delavaconine

Base Information

• Chemical Name: Delavaconine
• CAS No.: 1356-51-0
• Molecular Formula: C22H35NO5
• Molecular Weight: 393.517
• DSSTox Substance ID: DTXSID60929081
• Wikidata: Q104397142
• Mol file: 1356-51-0.mol

Synonyms:Delavaconine;1356-51-0;Aconitane-8,13,14-triol, 20-ethyl-1,16-dimethoxy-, (1alpha,14alpha,16beta)-;C22H35NO5;DTXSID60929081;20-Ethyl-1,16-dimethoxyaconitane-8,13,14-triol

Chemical Property of Delavaconine

Chemical Property:

• Boiling Point: 526.7°Cat760mmHg
• Flash Point: 272.4°C
• Density: 1.33g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 393.25152322
• Heavy Atom Count: 28
• Complexity: 690

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1CC2CCC(C34C2CC(C31)C5(CC(C6(CC4C5C6O)O)OC)O)OC
• Isomeric SMILES: CCN1C[C@@H]2CC[C@@H]([C@@]34C2C[C@@H](C31)[C@]5(C[C@@H]([C@]6(CC4C5[C@H]6O)O)OC)O)OC