CHEBI:79811 - 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione
ChEBI ID CHEBI:79811
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H27FO4
Net Charge 0
Average Mass 362.43510
Monoisotopic Mass 362.18934
InChI InChI=1S/C21H27FO4/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(17(25)11-26-20)19(14,2)10-16(24)21(15,18)22/h9,14-16,24H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey NVDNCLODVOXYKU-BULBTXNYSA-N
SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21OCC1=O
ChEBI Ontology
Outgoing 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione (CHEBI:79811) is a 20-oxo steroid (CHEBI:36885)
Synonym Source
17,21-Epoxy-9-fluoro-11beta-hydroxyprogesterone KEGG COMPOUND
Manual Xref Database
C15309 KEGG COMPOUND
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Registry Number Type Source
336-77-6 CAS Registry Number KEGG COMPOUND