Chem
J-GLOBAL ID:200907085171617842   Nikkaji number:J2.756.014H

11β,17α,21-Trihydroxypregnenolone

11β,17α,21-トリ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: C21H32O5
Molecular formula furigana: C21-H32-O5
Molecular weight: 364.482
InChI: InChI=1S/C21H32O5/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/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
InChI key: HAFVWTUQBYRPOB-HCMGWXKDSA-N
SMILES: C[C@]12C[C@H](O)[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,11β,17,21-テトラヒドロキシプレグナ-5-エン-20-オン
  • 1-[(1R,3aS,3bS,7S,9aR,9bS,10S,11aS)-1,7,10-トリヒドロキシ-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,3bS,7S,9aR,9bS,10S,11aS)-1,7,10-trihydroxy-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,11β,17,21-Tetrahydroxypregna-5-ene-20-one
  • 11β,17α,21-Trihydroxypregnenolone
  • 11β,17α,21-トリヒドロキシプレグネノロン
KEGG COMPOUND: C05489
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