CHEBI:18084 - testololactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name testololactone
ChEBI ID CHEBI:18084
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11866, CHEBI:20148, CHEBI:1620, CHEBI:15213, CHEBI:15922, CHEBI:26882
Supplier Information
Download Molfile XML SDF
Formula C19H26O3
Net Charge 0
Average Mass 302.40794
Monoisotopic Mass 302.18819
InChI InChI=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
InChIKey CNIXJDVUMXTEKX-DZBHQSCQSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]
ChEBI Ontology
Outgoing 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 Sources
(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)-dione IUPAC
17a-oxa-D-homoandrost-4-ene-3,17-dione ChemIDplus
3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone KEGG COMPOUND
3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone KEGG COMPOUND
3-oxo-13,17-secoandrost-4-eno-17,13-alpha-lactone ChEBI
D-homo-17a-oxaandrost-4-ene-3,17-dione ChemIDplus
hydrotestolactone ChemIDplus
Testololactone KEGG COMPOUND
testololactone UniProt
Manual Xrefs Databases
C04676 KEGG COMPOUND
LMST02020061 LIPID MAPS
View more database links
Registry Numbers Types Sources
34272 Beilstein Registry Number Beilstein
4416-57-3 CAS Registry Number ChemIDplus
Last Modified
13 November 2017