CHEBI:135892 - acetyldigoxin

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ChEBI Name acetyldigoxin
ChEBI ID CHEBI:135892
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C43H66O15
Net Charge 0
Average Mass 822.977
Monoisotopic Mass 822.44017
InChI InChI=1S/C43H66O15/c1-20-38(55-23(4)44)30(45)17-36(53-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,42)50)24-13-34(49)51-19-24/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27-,28-,29+,30+,31+,32+,33-,35+,36+,37+,38-,39-,40-,41+,42+,43+/m1/s1
InChIKey NREAGDHHMSOWKZ-DXJNJSHLSA-N
SMILES O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](CC4)O[C@]5(C[C@H](O)[C@@H]([C@H](O5)C)O[C@]6(C[C@H](O)[C@@H]([C@H](O6)C)O[C@]7(C[C@H](O)[C@@H]([C@H](O7)C)OC(C)=O)[H])[H])[H])[H])(C[C@H]([C@]1(C)[C@H](CC2)C=8COC(C8)=O)O)[H])[H]
Roles Classification
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetyldigoxin (CHEBI:135892) is a cardenolide glycoside (CHEBI:38092)
Synonyms Sources
beta acetyldigoxin DrugCentral
beta-Acetyldigoxin DrugCentral
novodigal DrugCentral
Manual Xref Database
68 DrugCentral
View more database links
Registry Number Type Source
5355-48-6 CAS Registry Number DrugCentral
Last Modified
23 February 2017