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

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ChEBI Name 5β-pregn-11-ene-3,20-dione
ChEBI ID CHEBI:79762
ChEBI ASCII Name 5beta-pregn-11-ene-3,20-dione
Definition A C21-steroid that is 5β-pregn-11-ene substituted by oxo groups at positions 3 and 20.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H30O2
Net Charge 0
Average Mass 314.46170
Monoisotopic Mass 314.22458
InChI InChI=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
InChIKey ZQTJQOPWOKKYDC-XWOJZHJZSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C
ChEBI Ontology
Outgoing 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 Xref Database
C15260 KEGG COMPOUND
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Registry Numbers Types Sources
1096-39-5 CAS Registry Number ChemIDplus
2296564 Reaxys Registry Number Reaxys
Last Modified
26 April 2017