Digoxigenin

Digoxigenin bmse000735 - Data

Digoxigenin synonyms

Digoxigenin; Lanadigigenin; 5beta,20(22)-Cardenolide-3beta,12beta,14-triol; 3beta,12beta,14beta,21-Tetrahydroxy-20(22)-norcholenic acid lactone; 3beta,12beta,14-Trihydroxy-5beta,20(22)-cardenolide

Wikipedia:

Graphical representations:

digoxigenin

View large 3D structure

Molecular Formula: C23H34O5

Natural Isotopic Abundance Mass: 390.51306

Mono-Isotopic Molecular Masses:

  • C12N14: 390.2406242019
  • C13N14: 413.3177854713
  • C12N15: 390.2406242019
  • C13N15: 413.3177854713

InChI string: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

PubChem Compound (CID): 15478
ChemSpider: 14728
ChEBI: CHEBI:42098
LipidMAPS: LMST01120008
ZINC: ZINC03982471
ChEMBL: CHEMBL1153
PDB Compound ID: DOG

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)