Aspidospermatine

Base Information

• Chemical Name: Aspidospermatine
• CAS No.: 5794-14-9
• Molecular Formula: C21H26N2O2
• Molecular Weight: 338.4433
• DSSTox Substance ID: DTXSID90415109
• Wikidata: Q27105867
• Mol file: 5794-14-9.mol

Synonyms:Aspidospermatine;5794-14-9;1-[(1R,9R,11R,17R,18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone;C09041;CHEBI:2888;DTXSID90415109;Q27105867

Chemical Property of Aspidospermatine

Chemical Property:

• Vapor Pressure: 1.04E-11mmHg at 25°C
• Boiling Point: 539.5°Cat760mmHg
• Flash Point: 280.1°C
• PSA: 32.78000
• Density: 1.25g/cm³
• LogP: 3.11520
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 338.199428076
• Heavy Atom Count: 25
• Complexity: 617

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1C2CCN3C1C4(CC3)C(C2)N(C5=C4C=CC=C5OC)C(=O)C
• Isomeric SMILES: C/C=C/1\[C@@H]2CCN3[C@H]1[C@@]4(CC3)[C@@H](C2)N(C5=C4C=CC=C5OC)C(=O)C

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