CHEBI:71004 - 20,22-dihydrodigoxigenin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 20,22-dihydrodigoxigenin ChEBI ID CHEBI:71004 Definition A hydroxy steroid that is the 20,22-dihydro derivative of digoxigenin, consisting of 5β-cardanolide with hydroxy groups at the 3β-, 12β- and 14β-positions. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H36O5 Net Charge 0 Average Mass 392.52890 Monoisotopic Mass 392.25627 InChI InChI=1S/C23H36O5/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/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1 InChIKey MWPLZPAHTHIKQB-YNFYBLEISA-N SMILES [H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C ChEBI Ontology Outgoing 20,22-dihydrodigoxigenin (CHEBI:71004) has functional parent digoxigenin (CHEBI:42098) 20,22-dihydrodigoxigenin (CHEBI:71004) is a 12β-hydroxy steroid (CHEBI:36847) 20,22-dihydrodigoxigenin (CHEBI:71004) is a 14β-hydroxy steroid (CHEBI:36862) 20,22-dihydrodigoxigenin (CHEBI:71004) is a 3β-hydroxy steroid (CHEBI:36836) IUPAC Name 3β,12β,14-trihydroxy-5β-cardanolide Synonyms Sources dihydrodigoxigenin UniProt dihydrodigoxigenin ChEBI Citations Types Sources 2858377 PubMed citation Europe PMC 3782404 PubMed citation Europe PMC 6302244 PubMed citation Europe PMC Last Modified 10 January 2020