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CHEBI:175109 - 3-keto-Digoxigenin

ChEBI IDCHEBI:175109
ChEBI Name3-keto-Digoxigenin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]43O)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C23H32O5/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/h9,14,16-19,25,27H,3-8,10-12H2,1-2H3/t14-,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKeyPOWMMMXVDBMFMP-QPMAGJLNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-keto-Digoxigenin (CHEBI:175109) is a cardenolides (CHEBI:74634)
IUPAC Name 
3-[(5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
HMDB0060746HMDB
10189794ChemSpider