DOG

DIGOXIGENIN


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Chemical Component Summary

NameDIGOXIGENIN
Synonyms4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE
Identifiers4-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
FormulaC23 H34 O5
Molecular Weight390.513
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
InChIInChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKeySHIBSTMRCDJXLN-KCZCNTNESA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count9
Bond Count66
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03671 
NameDigoxigenin
Groups experimental
DescriptionDigoxigenin is a cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
Synonyms
  • Lanadigenin
  • Digoxigenin
Categories
  • Cardanolides
  • Cardenolides
  • Cardiac Glycosides
  • Digoxin and derivatives
  • Fused-Ring Compounds
CAS number1672-46-4

Related Resource References

Resource NameReference
Pharos CHEMBL1153
PubChem 15478
ChEMBL CHEMBL1153
ChEBI CHEBI:42098