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CHEBI:175960 - 20, 22-Dihydrodigoxigenin

ChEBI IDCHEBI:175960
ChEBI Name20, 22-Dihydrodigoxigenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O5
Net Charge0
Average Mass392.536
Monoisotopic Mass392.25627
SMILES[H][C@@]1([C@@]2([H])CC[C@]3(O)C4CC[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-WFGOHPFPSA-N
ChEBI Ontology
Outgoing Relation(s)
20, 22-Dihydrodigoxigenin (CHEBI:175960) is a cardenolides (CHEBI:74634)
IUPAC Name 
(4R)-4-[(3S,5R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
Manual XrefsDatabases
HMDB0060730HMDB
59662744ChemSpider