Chem
J-GLOBAL ID：200907025908288591   Nikkaji number：J396.241E

17α,20α-Dihydroxypregna-4-ene-3-one

17α,20α-ジヒドロキシプレグナ-4-エン-3-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： C21H32O3
Molecular formula furigana： C21-H32-O3
Molecular weight： 332.484
InChI： InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1
InChI key： MASCESDECGBIBB-HNXXTFFGSA-N
SMILES： C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • (20S)-17α,20-ジヒドロキシプレグナ-4-エン-3-オン
  • (20S)-17,20-ジヒドロキシプレグナ-4-エン-3-オン
  • (1R,3aS,3bR,9aR,9bS,11aS)-1-ヒドロキシ-1-[(1S)-1-ヒドロキシエチル]-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,3bR,9aR,9bS,11aS)-1-hydroxy-1-[(1S)-1-hydroxyethyl]-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 (3)：
  • (20S)-17α,20-Dihydroxypregn-4-en-3-one
  • 17α,20α-Dihydroxypregna-4-ene-3-one
  • 17α,20α-ジヒドロキシプレグナ-4-エン-3-オン
CAS registry number： 652-69-7
KEGG COMPOUND： C04518
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