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CHEBI:17206 - 9,11α-epoxypregn-4-ene-3,20-dione

ChEBI IDCHEBI:17206
ChEBI Name9,11α-epoxypregn-4-ene-3,20-dione
Stars
ASCII Name9,11alpha-epoxypregn-4-ene-3,20-dione
DefinitionAn epoxy steroid that is pregn-4-ene-3,20-dione which has an epoxy group whose oxygen is attached to the 9α and 11α-positions.
Secondary ChEBI IDsCHEBI:2331, CHEBI:12270, CHEBI:20818
Last Modified28 October 2019
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@]13O[C@@H]3C[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19-,20+,21+/m1/s1
InChIKeyFFMULFMLARAIRH-OUZKAEIWSA-N
ChEBI Ontology
Outgoing Relation(s)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) has parent hydride pregnane (CHEBI:8386)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a 20-oxo steroid (CHEBI:36885)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a 3-oxo-Δ4 steroid (CHEBI:47909)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a C21-steroid (CHEBI:61313)
9,11α-epoxypregn-4-ene-3,20-dione (CHEBI:17206) is a epoxy steroid (CHEBI:145217)
IUPAC Name 
9,11α-dihydrooxireno[2',3':9,11]pregn-4-ene-3,20-dione
Synonym  Source
9,11alpha-Epoxypregn-4-ene-3,20-dioneKEGG COMPOUND
UniProt Name  Source
9,11α-epoxypregn-4-ene-3,20-dioneUniProt
Manual XrefsDatabases
C04379KEGG COMPOUND
Registry NumbersSources
Beilstein:5763507Beilstein