Chem
J-GLOBAL ID：200907094039889611   Nikkaji number：J205.916I

3α,17-Dihydroxy-5β-pregnane-11,20-dione

3α,17-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/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1
InChI key： AYEXSTRNLGYBSQ-YOBHSKELSA-N
SMILES： CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Systematic name  (3)：
  • 3α,17-ジヒドロキシ-5β-プレグナン-11,20-ジオン
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,11aS)-1-アセチル-1,7-ジヒドロキシ-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
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,11aS)-1-acetyl-1,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
Other name (1)：
  • 3α,17-Dihydroxy-5β-pregnane-11,20-dione
CAS registry number： 641-78-1
Regulation number (1)：
  • EINECS2113762
KEGG COMPOUND： C14598
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