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CHEBI:79538 - 2beta,21-Dihydroxypregn-4-ene-3,20-dione

ChEBI IDCHEBI:79538
ChEBI Name2beta,21-Dihydroxypregn-4-ene-3,20-dione
Stars
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC3=CC(=O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)CO)CC[C@@]21[H]
InChIInChI=1S/C21H30O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18-,20-,21-/m0/s1
InChIKeyKYRHFGKXGJXOGD-FOXYBHETSA-N
ChEBI Ontology
Outgoing Relation(s)
2beta,21-Dihydroxypregn-4-ene-3,20-dione (CHEBI:79538) is a 21-hydroxy steroid (CHEBI:35344)
Manual XrefsDatabases
C15015KEGG COMPOUND