Chem
J-GLOBAL ID:200907089321957480   Nikkaji number:J574.326E

9β-Fluorocortisol

9β-フルオロコルチソール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H29FO5
Molecular formula furigana: C21-H29-F-O5
Molecular weight: 380.456
InChI: InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1
InChI key: AAXVEMMRQDVLJB-CKBUFISISA-N
SMILES: C[C@]12C[C@H](O)[C@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name  (3):
  • 9β-フルオロコルチソール
  • (1R,3aS,3bS,9aS,9bS,10S,11aS)-9b-フルオロ-1,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aS,9bS,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1):
  • 9β-Fluorocortisol
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