Chem
J-GLOBAL ID：200907099910399558   Nikkaji number：J322.211J

21-Hydroxy-5α-pregnane-3,20-dione

5α-ジヒドロデオキシコルチコステロン
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： C21H32O3
Molecular formula furigana： C21-H32-O3
Molecular weight： 332.484
InChI： InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15-,16-,17-,18+,20-,21-/m0/s1
InChI key： USPYDUPOCUYHQL-KVHKMPIWSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Systematic name  (3)：
  • 21-ヒドロキシ-5α-プレグナン-3,20-ジオン
  • (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bR,5aS,9aS,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 21-Hydroxy-5α-pregnane-3,20-dione
  • 5α-ジヒドロデオキシコルチコステロン
KEGG COMPOUND： C18040
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