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CHEBI:9460 - testolactone

ChEBI IDCHEBI:9460
ChEBI Nametestolactone
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]
InChIInChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
InChIKeyBPEWUONYVDABNZ-DZBHQSCQSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
testolactone (CHEBI:9460) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
testolactone (CHEBI:9460) is a seco-androstane (CHEBI:26616)
IUPAC Name 
3-oxo-13,17-secoandrosta-1,4-dieno-17,13α-lactone
Synonyms  Source
TestolactoneKEGG COMPOUND
(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dioneIUPAC
1,2-didehydrotestololactoneChemIDplus
1-dehydrotestololactoneChemIDplus
Δ1-testololactoneChemIDplus
13-hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid δ-lactoneChemIDplus
Manual XrefsDatabases
C02197KEGG COMPOUND
D00153KEGG DRUG
TestolactoneWikipedia
DB00894DrugBank
2606DrugCentral
Registry NumbersSources
Beilstein:36921Beilstein
CAS:968-93-4KEGG COMPOUND
CAS:968-93-4ChemIDplus