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CHEBI:135885 - metildigoxin

Default Structure
ChEBI IDCHEBI:135885
ChEBI Namemetildigoxin
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC42H66O14
Net Charge0
Average Mass794.976
Monoisotopic Mass794.44526
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@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
InChIInChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1
InChIKeyIYJMSDVSVHDVGT-PEQKVOOWSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
metildigoxin (CHEBI:135885) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
4'''-MethyldigoxinDrugCentral
beta-MethyldigoxinDrugCentral
lanirapidDrugCentral
lanitopDrugCentral
medigoxinDrugCentral
methyldigoxinDrugCentral
Manual XrefsDatabases
1761DrugCentral
Registry NumbersSources
CAS:30685-43-9DrugCentral