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Acetyldigitoxin

CHEBI:CHEBI_53773

Definition

A cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end.

Chemical Information

Molecular Formula
C43H66O14
Molecular Mass
806.97570
Charge
0
SMILES
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
InChI
InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
InChIKey
HPMZBILYSWLILX-UMDUKNJSSA-N

Alternative Names

  • 3beta-[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
  • acetildigitoxina
  • Acetyl-digitoxin-alpha
  • Acetyldiginatin
  • acetyldigitoxin
  • acetyldigitoxinum
  • Acetylgitaloxin
  • Acetylgitoxin
  • alpha-Acetyldigitoxin
  • alpha-Acetylgitaloxin
  • alpha-Monoacetyldigitoxin
  • Desglucolanatoside A
  • Digitoxin 3'''-acetate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
132871
oboInOwl#hasDbXref
PMID:13948234
core#notation
CHEBI:53773

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
132871
oboInOwl#hasDbXref
PMID:13948234
oboInOwl#id
CHEBI:53773
core#notation
CHEBI:53773
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_23924
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_28544
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
owl#annotatedSource
t245742
owl#someValuesFrom
t932762