CHEBI:79758 - 6α-fluoro-17-hydroxycorticosterone 21-acetate

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ChEBI Name 6α-fluoro-17-hydroxycorticosterone 21-acetate
ChEBI ID CHEBI:79758
ChEBI ASCII Name 6alpha-fluoro-17-hydroxycorticosterone 21-acetate
Definition A steroid ester that is pregn-4-en-21-yl acetate substituted by oxo groups at positions 3 and 20, hydroxy groups at positions 11 and 17 and a fluoro group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H31FO6
Net Charge 0
Average Mass 422.48700
Monoisotopic Mass 422.21047
InChI InChI=1S/C23H31FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1
InChIKey IXQXTLBVUAXXNT-APRQOCPKSA-N
SMILES CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
ChEBI Ontology
Outgoing 6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) has parent hydride pregnane (CHEBI:8386)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a 11β-hydroxy steroid (CHEBI:35346)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a 17α-hydroxy steroid (CHEBI:35342)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a 20-oxo steroid (CHEBI:36885)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a 3-oxo-Δ4 steroid (CHEBI:47909)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a acetate ester (CHEBI:47622)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a fluorinated steroid (CHEBI:50830)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a steroid ester (CHEBI:47880)
6α-fluoro-17-hydroxycorticosterone 21-acetate (CHEBI:79758) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
6α-fluoro-11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate
Synonym Source
6alpha-Fluoro-11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate KEGG COMPOUND
Manual Xref Database
C15256 KEGG COMPOUND
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Registry Numbers Types Sources
1058-55-5 CAS Registry Number ChemIDplus
3227510 Reaxys Registry Number Reaxys
Last Modified
06 February 2018