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Digitoxigenin-3-beta-L-glucosylglycyl ester

Base Information
  • Chemical Name:Digitoxigenin-3-beta-L-glucosylglycyl ester
  • CAS No.:81072-28-8
  • Molecular Formula:C31H47NO10
  • Molecular Weight:593.7056
  • Hs Code.:
  • Mol file:81072-28-8.mol
Digitoxigenin-3-beta-L-glucosylglycyl ester

Synonyms:81072-28-8;Digitoxigenin-3-beta-L-glucosylglycyl ester;Digitoxigenin-3-beta-N-D-(+)-glucosylglycyl ester;Glycine, N-D-glucosyl-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide;Glycine, N-L-glucosyl-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide;81072-27-7;LS-72663;LS-72664;[14-Hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]2-(2,3,4,5,6-pentahydroxyhexylideneamino)acetate

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Chemical Property of Digitoxigenin-3-beta-L-glucosylglycyl ester
Chemical Property:
  • Vapor Pressure:1.21E-33mmHg at 25°C 
  • Boiling Point:850.3°Cat760mmHg 
  • Flash Point:468.1°C 
  • PSA:186.34000 
  • Density:1.49g/cm3 
  • LogP:0.66190 
  • XLogP3:-0.1
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:11
  • Rotatable Bond Count:10
  • Exact Mass:593.31999670
  • Heavy Atom Count:42
  • Complexity:1100
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)CN=CC(C(C(C(CO)O)O)O)O
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