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CHEBI:79762 - 5β-pregn-11-ene-3,20-dione

ChEBI IDCHEBI:79762
ChEBI Name5β-pregn-11-ene-3,20-dione
Stars
ASCII Name5beta-pregn-11-ene-3,20-dione
DefinitionA C21-steroid that is 5β-pregn-11-ene substituted by oxo groups at positions 3 and 20.
Last Modified26 April 2017
DownloadsMolfile
FormulaC21H30O2
Net Charge0
Average Mass314.469
Monoisotopic Mass314.22458
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C=C[C@]4(C)[C@@H](C(C)=O)CC[C@@]34[H])[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKeyZQTJQOPWOKKYDC-XWOJZHJZSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-pregn-11-ene-3,20-dione (CHEBI:79762) has parent hydride pregnane (CHEBI:8386)
5β-pregn-11-ene-3,20-dione (CHEBI:79762) is a 20-oxo steroid (CHEBI:36885)
5β-pregn-11-ene-3,20-dione (CHEBI:79762) is a 3-oxo-5β-steroid (CHEBI:1624)
5β-pregn-11-ene-3,20-dione (CHEBI:79762) is a C21-steroid (CHEBI:61313)
IUPAC Name 
5β-pregn-11-ene-3,20-dione
Manual XrefsDatabases
C15260KEGG COMPOUND
Registry NumbersSources
Reaxys:2296564Reaxys
CAS:1096-39-5ChemIDplus