(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine

Base Information

• Chemical Name: (13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
• CAS No.: 32671-82-2
• Molecular Formula: C23H25NO3
• Molecular Weight: 363.45
• DSSTox Substance ID: DTXSID301318734
• Nikkaji Number: J808.669I
• Wikidata: Q104396220
• Metabolomics Workbench ID: 127820
• ChEMBL ID: CHEMBL228286
• Mol file: 32671-82-2.mol

Synonyms:antofine

Chemical Property of (13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine

Chemical Property:

• Melting Point: 213-215 °C(Solv: acetone (67-64-1))
• Boiling Point: 542.8±45.0 °C(Predicted)
• Density: 1.25±0.1 g/cm3(Predicted)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 363.18344366
• Heavy Atom Count: 27
• Complexity: 528

Purity/Quality:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC
• Isomeric SMILES: COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC