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CHEBI:44779 - 17,21-dihydroxypregna-1,4-diene-3,11,20-trione

Default Structure
ChEBI IDCHEBI:44779
ChEBI Name17,21-dihydroxypregna-1,4-diene-3,11,20-trione
Stars
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILES[H]O/C([H])=C(\O[H])[C@@]1(O[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])=C([H])[C@]4(C([H])([H])[H])[C@@]3([H])C(=O)C([H])([H])[C@@]21C([H])([H])[H]
InChIInChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,11,14-15,18,22,25-26H,3-4,6,8,10H2,1-2H3/b17-11-/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKeyWZTZVUUYKIOIRV-LMZHSBCYSA-N
ChEBI Ontology
Outgoing Relation(s)
17,21-dihydroxypregna-1,4-diene-3,11,20-trione (CHEBI:44779) is a unclassifieds (CHEBI:27189)
Synonyms  Source
17,21-dihydroxypregna-1,4-diene-3,11,20-trionePDBeChem
(8alpha,14beta,17alpha,20Z)-17,20,21-trihydroxypregna-1,4,20-triene-3,11-dionePDBeChem
Manual XrefsDatabases
PDNPDBeChem