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CHEBI:18084 - testololactone

ChEBI IDCHEBI:18084
ChEBI Nametestololactone
Stars
Secondary ChEBI IDsCHEBI:1620, CHEBI:11866, CHEBI:15213, CHEBI:15922, CHEBI:20148, CHEBI:26882
Last Modified13 November 2017
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]
InChIInChI=1S/C19H26O3/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/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
InChIKeyCNIXJDVUMXTEKX-DZBHQSCQSA-N
ChEBI Ontology
Outgoing Relation(s)
testololactone (CHEBI:18084) is a 3-oxo-Δ4 steroid (CHEBI:47909)
testololactone (CHEBI:18084) is a seco-androstane (CHEBI:26616)
testololactone (CHEBI:18084) is a steroid lactone (CHEBI:26766)
IUPAC Name 
3-oxo-13,17-secoandrost-4-eno-17,13α-lactone
Synonyms  Source
3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactoneKEGG COMPOUND
3-oxo-13,17-secoandrost-4-eno-17,13-alpha-lactoneChEBI
17a-oxa-D-homoandrost-4-ene-3,17-dioneChemIDplus
hydrotestolactoneChemIDplus
(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dioneIUPAC
TestololactoneKEGG COMPOUND
UniProt Name  Source
testololactoneUniProt
Manual XrefsDatabases
C04676KEGG COMPOUND
LMST02020061LIPID MAPS
Registry NumbersSources
Beilstein:34272Beilstein
CAS:4416-57-3ChemIDplus
CAS:4416-57-3KEGG COMPOUND