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CHEBI:59028 - acetylstrophanthidin

ChEBI IDCHEBI:59028
ChEBI Nameacetylstrophanthidin
Stars
DefinitionAn acetate ester that is strophanidin acetylated at the 3β-hydroxy group.
Last Modified27 November 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](OC(C)=O)CC[C@@]12C=O
InChIInChI=1S/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1
InChIKeyJLZAERUVCODZQO-VWCUIIQSSA-N
Roles Classification
Application:
anti-arrhythmia drug  A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
ChEBI Ontology
Outgoing Relation(s)
acetylstrophanthidin (CHEBI:59028) has functional parent strophanthidin (CHEBI:38178)
acetylstrophanthidin (CHEBI:59028) has role anti-arrhythmia drug (CHEBI:38070)
acetylstrophanthidin (CHEBI:59028) is a acetate ester (CHEBI:47622)
IUPAC Name 
3β-acetyloxy-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide
Synonyms  Source
Acetyl-k-strophanthidineChEBI
Strophanthidin 3-acetateChemIDplus
Strophanthidin acetateChemIDplus
3β,5,14-trihydroxy-19-oxo-5β-card-20(22)-enolide 3-acetateChemIDplus
acetyl-strophanthidinChEBI
Erysimupicrone acetateChemIDplus
Registry NumbersSources
Reaxys:99776Reaxys
CAS:60-38-8ChemIDplus
Citations