Chem
J-GLOBAL ID：200907098945071508   Nikkaji number：J6.569B

5β-Pregnane-3,20-dione

5β-プレグナン-3,20-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： C21H32O2
Molecular formula furigana： C21-H32-O2
Molecular weight： 316.485
InChI： InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChI key： XMRPGKVKISIQBV-XWOJZHJZSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 5β-プレグナン-3,20-ジオン
  • (1S,3aS,3bR,5aR,9aS,9bS,11aS)-1-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-7-オン
  • (1S,3aS,3bR,5aR,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (5)：
  • 5β-Pregnane-3,20-dione
  • 5β-プレグナンジオン
  • 5β-Pregnanedione
  • 5β-ジヒドロプロゲステロン
  • 5β-Dihydroprogesterone
CAS registry number： 128-23-4
Regulation number (2)：
  • 7-(1)-223
  • TU4157150
KEGG COMPOUND： C05479
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