Chem
J-GLOBAL ID：200907095618237185   Nikkaji number：J2.756.013J

17α,21-Dihydroxypregnenolone

17α,21-ジヒドロキシプレグネノロン
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： C21H32O4
Molecular formula furigana： C21-H32-O4
Molecular weight： 348.483
InChI： InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
InChI key： JNHJGXQUDOYJAK-IYRCEVNGSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name  (3)：
  • 3β,17,21-トリヒドロキシプレグナ-5-エン-20-オン
  • 1-[(1R,3aS,3bR,7S,9aR,9bS,11aS)-1,7-ジヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-ヒドロキシエタン-1-オン
  • 1-[(1R,3aS,3bR,7S,9aR,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
Other name (3)：
  • 3β,17,21-Trihydroxypregna-5-ene-20-one
  • 17α,21-Dihydroxypregnenolone
  • 17α,21-ジヒドロキシプレグネノロン
KEGG COMPOUND： C05487
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