Chem
J-GLOBAL ID：200907000278858421   Nikkaji number：J188.431J

3α,21-Dihydroxy-5β-pregnane-11,20-dione

3α,21-ジヒドロキシ-5β-プレグナン-11,20-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： C21H32O4
Molecular formula furigana： C21-H32-O4
Molecular weight： 348.483
InChI： InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,19-,20+,21+/m1/s1
InChI key： XWYBFXIUISNTQG-RHBMFIQRSA-N
SMILES： C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Systematic name  (3)：
  • 3α,21-ジヒドロキシ-5β-プレグナン-11,20-ジオン
  • (1S,3aS,3bS,5aR,7R,9aS,9bS,11aS)-7-ヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-10-オン
  • (1S,3aS,3bS,5aR,7R,9aS,9bS,11aS)-7-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
Other name (1)：
  • 3α,21-Dihydroxy-5β-pregnane-11,20-dione
CAS registry number： 566-03-0
Regulation number (1)：
  • EINECS2092952
KEGG COMPOUND： C05478
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