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CHEBI:79885 - 12alpha-Hydroxy-5beta-pregnane-3,20-dione

ChEBI IDCHEBI:79885
ChEBI Name12alpha-Hydroxy-5beta-pregnane-3,20-dione
Stars
Last Modified26 April 2017
DownloadsMolfile
FormulaC21H32O3
Net Charge0
Average Mass332.484
Monoisotopic Mass332.23514
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@]4(C)[C@@H](C(C)=O)CC[C@]43[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20+,21-/m1/s1
InChIKeyWOUWWZYKGYDVMI-PHFNMVBRSA-N
ChEBI Ontology
Outgoing Relation(s)
12alpha-Hydroxy-5beta-pregnane-3,20-dione (CHEBI:79885) is a 3-oxo-5β-steroid (CHEBI:1624)
Manual XrefsDatabases
C15384KEGG COMPOUND