Chem
J-GLOBAL ID:200907017511857538   Nikkaji number:J67.002B

17,19,21-Trihydroxypregn-4-ene-3,20-dione

19-ヒドロキシ-11-デオキシコルチソール
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: C21H30O5
Molecular formula furigana: C21-H30-O5
Molecular weight: 362.466
InChI: InChI=1S/C21H30O5/c1-19-7-5-17-15(16(19)6-9-21(19,26)18(25)11-22)3-2-13-10-14(24)4-8-20(13,17)12-23/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16-,17-,19-,20+,21-/m0/s1
InChI key: JEHPZILSNSOOQZ-IZTFOULLSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name  (4):
  • 19-ヒドロキシ-11-デオキシコルチソール
  • 17,19,21-トリヒドロキシプレグナ-4-エン-3,20-ジオン
  • (1R,3aS,3bR,9aS,9bS,11aS)-1-ヒドロキシ-1-(2-ヒドロキシアセチル)-9a-(ヒドロキシメチル)-11a-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,9aS,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a-(hydroxymethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1):
  • 17,19,21-Trihydroxypregn-4-ene-3,20-dione
Regulation number (1):
  • TU5455000
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