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Aglycone C

Base Information
  • Chemical Name:Aglycone C
  • CAS No.:116455-20-0
  • Molecular Formula:C21H20 O8
  • Molecular Weight:400.38
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50863400
  • Mol file:116455-20-0.mol
Aglycone C

Synonyms:7-deoxy-13-dihydroadriamycinone;7-deoxydoxorubicinolone;aglycone C

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Chemical Property of Aglycone C
Chemical Property:
  • Vapor Pressure:1.25E-24mmHg at 25°C 
  • Boiling Point:765.3°Cat760mmHg 
  • Flash Point:274.8°C 
  • PSA:144.52000 
  • Density:1.583g/cm3 
  • LogP:0.45480 
  • XLogP3:2.3
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:3
  • Exact Mass:400.11581759
  • Heavy Atom Count:29
  • Complexity:667
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4)(C(CO)O)O)C(=C3C2=O)O)O
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