Chem
J-GLOBAL ID：200907094306464773   Nikkaji number：J337.179D

16α,21-Dihydroxyprogesterone

4-プレグネン-16α,21-ジオール-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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-20-7-5-13(23)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-17(24)19(21)18(25)11-22/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15+,16+,17-,19-,20+,21+/m1/s1
InChI key： XSQXOTFDJSEPRD-ROVFHEEESA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(=O)CO
Systematic name  (4)：
  • 16α,21-ジヒドロキシプロゲステロン
  • 16α,21-ジヒドロキシプレグナ-4-エン-3,20-ジオン
  • (1R,2R,3aS,3bS,9aR,9bS,11aS)-2-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,2R,3aS,3bS,9aR,9bS,11aS)-2-hydroxy-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 (5)：
  • 16α,21-Dihydroxyprogesterone
  • 16α,21-Dihydroxypregna-4-ene-3,20-dione
  • 4-Pregnene-16α,21-diol-3,20-dione
  • 4-プレグネン-16α,21-ジオール-3,20-ジオン
  • 16α,21-Dihydroxypregn-4-ene-3,20-dione
KEGG COMPOUND： C15365
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