Digoxin

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Systematic / IUPAC Name: (3β,5β,12β)-3-{[2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide

ID: Reference1482

Other Names: 12β-Hydroxydigitoxin;
Chloroformic digitalin;
Lanoxicaps;
Lanoxin;
Digacin ; more

Formula: C41H64O14

Class: Therapeutics/Prescription Drugs

Spectral Data

Digoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2015 11:05:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
InChI Key LTMHDMANZUZIPE-PUGKRICDSA-N
Canonical SMILES
CAS 20830755
Splash
Other Names 12β-Hydroxydigitoxin;
Chloroformic digitalin;
Lanoxicaps;
Lanoxin;
Digacin;
Eudigox;
Lanacrist;
Lanicor;
Cardigox;
Cardiogoxin;
Cardioxin;
Coragoxine;
Cordioxil;
Davoxin;
Digomal;
Digon;
Digonix;
Digos;
Dimecip;
Dokim;
Dynamos;
Fargoxin;
Grexin;
Lanatilin;
Lanikor;
Lanorale;
Lanoxin PG;
Lenoxicaps;
Lenoxin;
Lifusin;
Lanocardin;
Longdigox;
Mapluxin;
Natigoxin;
Neodioxanin;
Neo-lanicor;
Novodigal-amp;
Purgoxin;
Rougoxin;
Saroxin;
Stillacor;
Toloxin;
Vanoxin;
Cardoxin;
Cogoxin

In Other Databases

Wikipedia Digoxin
KEGG D00298; C06956
ChemSpider 2006532
PubChem 2724385
ChEBI CHEBI:4551
HMDb HMDB01917
ChEMBL CHEMBL1751