Chem
J-GLOBAL ID：200907088731408631   Nikkaji number：J1.500.587D

11α,17,21-Trihydroxypregna-1,4-diene-3,20-dione

11α,17,21-トリヒドロキシプレグナ-1,4-ジエン-3,20-ジオン
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： C21H28O5
Molecular formula furigana： C21-H28-O5
Molecular weight： 360.450
InChI： InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16+,18+,19-,20-,21-/m0/s1
InChI key： OIGNJSKKLXVSLS-MKIDGPAKSA-N
SMILES： C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name  (4)：
  • 11α,17,21-トリヒドロキシプレグナ-1,4-ジエン-3,20-ジオン
  • 11α,17α,21-トリヒドロキシプレグナ-1,4-ジエン-3,20-ジオン
  • (1R,3aS,3bS,9aR,9bS,10R,11aS)-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,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,9aR,9bS,10R,11aS)-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 11α,17,21-Trihydroxypregna-1,4-diene-3,20-dione
  • 11α,17α,21-Trihydroxypregna-1,4-diene-3,20-dione
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