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CHEBI:135892 - acetyldigoxin

Default Structure
ChEBI IDCHEBI:135892
ChEBI Nameacetyldigoxin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC43H66O15
Net Charge0
Average Mass822.986
Monoisotopic Mass822.44017
SMILES[H][C@]1(O[C@H]2CC[C@@]3(C)[C@]([H])(CC[C@]4([H])[C@]3([H])C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@@]34O)C2)C[C@H](O)[C@H](O[C@@]2([H])C[C@H](O)[C@H](O[C@@]3([H])C[C@H](O)[C@H](OC(C)=O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
InChIInChI=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
InChIKeyNREAGDHHMSOWKZ-DXJNJSHLSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
acetyldigoxin (CHEBI:135892) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
beta acetyldigoxinDrugCentral
beta-AcetyldigoxinDrugCentral
novodigalDrugCentral
Manual XrefsDatabases
68DrugCentral
Registry NumbersSources
CAS:5355-48-6DrugCentral