EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34516 - 9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione

ChEBI IDCHEBI:34516
ChEBI Name9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H29FO6
Net Charge0
Average Mass396.455
Monoisotopic Mass396.19482
SMILES[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H29FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h7,13-16,23,25-26,28H,3-6,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
InChIKeySXQQMCLQCSKJNC-OBYCQNJPSA-N
ChEBI Ontology
Outgoing Relation(s)
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione (CHEBI:34516) is a 21-hydroxy steroid (CHEBI:35344)
Synonyms  Source
9alpha-Fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregn-4-ene-3,20-dioneKEGG COMPOUND
9alpha-Fluoro-16alpha-hydroxyhydrocortisoneKEGG COMPOUND
Manual XrefsDatabases
C14638KEGG COMPOUND
Registry NumbersSources
CAS:337-02-0KEGG COMPOUND