CHEBI:79821 - 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

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ChEBI Name 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
ChEBI ID CHEBI:79821
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H29FO5
Net Charge 0
Average Mass 392.46110
Monoisotopic Mass 392.19990
InChI InChI=1S/C22H29FO5/c1-12-8-16-14-5-7-21(28,18(27)11-24)20(14,3)10-17(26)22(16,23)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,24,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey AWFOJLJWZNBTBX-MJWISQFFSA-N
SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12
ChEBI Ontology
Outgoing 9alpha-Fluoro-11beta,17alpha,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione (CHEBI:79821) is a 21-hydroxy steroid (CHEBI:35344)
Synonym Source
9alpha-Fluoro-6alpha-methylprednisolone KEGG COMPOUND
Manual Xref Database
C15319 KEGG COMPOUND
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