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CHEBI:755436 - acetyldigitoxin

Default Structure
ChEBI IDCHEBI:755436
ChEBI Nameacetyldigitoxin
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC43H66O14
Net Charge0
Average Mass806.987
Monoisotopic Mass806.44526
SMILES[H][C@]1(O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](O[C@@]4([H])C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C1
InChIInChI=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
InChIKeyHPMZBILYSWLILX-UMDUKNJSSA-N
Roles Classification
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
acetyldigitoxin (CHEBI:755436) has role cardiovascular drug (CHEBI:35554)
acetyldigitoxin (CHEBI:755436) is a cardenolide glycoside (CHEBI:38092)
INN  Source
acetyldigitoxineWHO MedNet
Synonym  Source
Acetyldigitoxins .alpha.-formChEMBL
Citations