7,13-alpha-Secoberbin-13-alpha-one, 9,10-(2-bromomethylenedioxy)-7-methyl-2,3-(methylenedioxy)-

Base Information

• Chemical Name: 7,13-alpha-Secoberbin-13-alpha-one, 9,10-(2-bromomethylenedioxy)-7-methyl-2,3-(methylenedioxy)-
• CAS No.: 80416-87-1
• Molecular Formula: C20H15 Cl2 N O5 Sb2
• Molecular Weight: 663.7628
• DSSTox Substance ID: DTXSID301334372
• Mol file: 80416-87-1.mol

Synonyms:7,13-alpha-Secoberbin-13-alpha-one, 9,10-(2-bromomethylenedioxy)-7-methyl-2,3-(methylenedioxy)-;A65;80416-87-1;C20H18BrNO5;C20-H18-Br-N-O5;DTXSID301334372;LS-144705

Chemical Property of 7,13-alpha-Secoberbin-13-alpha-one, 9,10-(2-bromomethylenedioxy)-7-methyl-2,3-(methylenedioxy)-

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 662.84075
• Heavy Atom Count: 30
• Complexity: 1110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1OC2=C(O1)C3=C(CC2=[Sb]Cl)C=CC4=C(C=CNC3)C(=[Sb]Cl)C5=C(C4)OC(=O)O5
• Isomeric SMILES: CC1OC2=C(O1)C3=C(CC2=[Sb]Cl)/C=C\C4=C(/C=C\NC3)C(=[Sb]Cl)C5=C(C4)OC(=O)O5