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CHEBI:79765 - A-norpregn-3(5)-ene-2,20-dione

ChEBI IDCHEBI:79765
ChEBI NameA-norpregn-3(5)-ene-2,20-dione
Stars
DefinitionA 2-oxo steroid that is a derivative of pregnane obtained by the loss of a methylene group.
Last Modified7 August 2020
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILES[H][C@@]12CCC3=CC(=O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C20H28O2/c1-12(21)16-6-7-17-15-5-4-13-10-14(22)11-20(13,3)18(15)8-9-19(16,17)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-/m0/s1
InChIKeyCQNNLXQECGKHEH-APNJTCTJSA-N
ChEBI Ontology
Outgoing Relation(s)
A-norpregn-3(5)-ene-2,20-dione (CHEBI:79765) is a 2-oxo steroid (CHEBI:36888)
A-norpregn-3(5)-ene-2,20-dione (CHEBI:79765) is a 20-oxo steroid (CHEBI:36885)
IUPAC Name 
4-norpregn-3(5)-ene-2,20-dione
Synonyms  Source
A-norprogesteroneKEGG COMPOUND
(3aR,3bS,5aS,6S,8aS,8bS)-6-acetyl-3a,5a-dimethyl-3a,3b,4,5,5a,6,7,8,8a,8b,9,10-dodecahydrodicyclopenta[a,f]naphthalen-2(3H)-oneIUPAC
Manual XrefsDatabases
C15263KEGG COMPOUND
Registry NumbersSources
Reaxys:5459076Reaxys
CAS:1232-76-4ChemIDplus