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CHEBI:71004 - 20,22-dihydrodigoxigenin

ChEBI IDCHEBI:71004
ChEBI Name20,22-dihydrodigoxigenin
Stars
DefinitionA 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.
Last Modified10 January 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H36O5
Net Charge0
Average Mass392.536
Monoisotopic Mass392.25627
SMILES[H][C@@]1([C@@]2([H])CC[C@]3(O)[C@]4([H])CC[C@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])C[C@@H](O)[C@]23C)COC(=O)C1
InChIInChI=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
InChIKeyMWPLZPAHTHIKQB-YNFYBLEISA-N
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
dihydrodigoxigeninChEBI
UniProt Name  Source
dihydrodigoxigeninUniProt
Citations