Delavaconitine

Base Information

• Chemical Name: Delavaconitine
• CAS No.: 1356-52-1
• Molecular Formula: C29H39NO6
• Molecular Weight: 497.6231
• DSSTox Substance ID: DTXSID20929082
• Wikidata: Q82903922

Synonyms:Delavaconitine;1356-52-1;BRN 4279438;20-ethyl-8,13-dihydroxy-1,16-dimethoxyaconitan-14-yl benzoate;DTXSID20929082;1,16-beta-Dimethoxy-20-ethylaconitane-8,13,14-alpha-triol 14-benzoate;Aconitane-8,13,14-triol, 1,16-dimethoxy-20-ethyl-, 14-benzoate, (1-alpha,14-alpha,16-beta)-

Chemical Property of Delavaconitine

Chemical Property:

• Vapor Pressure: 2.38E-16mmHg at 25°C
• Boiling Point: 622.4°C at 760 mmHg
• Flash Point: 330.2°C
• Density: 1.32g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 497.27773796
• Heavy Atom Count: 36
• Complexity: 908

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2CCC(C34C2CC(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)O)OC

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