Chem
J-GLOBAL ID：200907041604924241   Nikkaji number：J1.617.249I

5α(17α)-Pregnan-3,20-dione

5α(17α)-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+/m0/s1
InChI key： XMRPGKVKISIQBV-XXYAPFAXSA-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)：
  • (17α)-5α-プレグナン-3,20-ジオン
  • (1R,3aS,3bR,5aS,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
  • (1R,3aS,3bR,5aS,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • (17α)-5α-Pregnane-3,20-dione
  • 5α(17α)-プレグナン-3,20-ジオン
  • 5α(17α)-Pregnan-3,20-dione
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