Aspidoalbine

Base Information

• Chemical Name: Aspidoalbine
• CAS No.: 2122-25-0
• Molecular Formula: C24H32N2O5
• Molecular Weight: 428.5213
• DSSTox Substance ID: DTXSID20331702
• Nikkaji Number: J14.365K
• Wikidata: Q27105864
• Mol file: 2122-25-0.mol

Synonyms:Aspidoalbine;2122-25-0;1-[(1R,4R,12R,16S)-7-hydroxy-8,9-dimethoxy-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6,8,10-trien-5-yl]propan-1-one;C09038;CHEBI:2885;DTXSID20331702;Q27105864

Chemical Property of Aspidoalbine

Chemical Property:

• Vapor Pressure: 6.52E-19mmHg at 25°C
• Boiling Point: 676.3°C at 760 mmHg
• Flash Point: 362.8°C
• Density: 1.35g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 428.23112213
• Heavy Atom Count: 31
• Complexity: 764

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N1C2CCC34CCCN5C3(C2(CC5)C6=CC(=C(C(=C61)O)OC)OC)OCC4
• Isomeric SMILES: CCC(=O)N1[C@@H]2CC[C@@]34CCCN5[C@]3([C@]2(CC5)C6=CC(=C(C(=C61)O)OC)OC)OCC4