Chem
J-GLOBAL ID：200907006811321573   Nikkaji number：J143.291E

(17α)-12β-Hydroxy-5α-pregnan-20-one

(17α)-12β-ヒドロキシ-5α-プレグナン-20-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： C21H34O2
Molecular formula furigana： C21-H34-O2
Molecular weight： 318.501
InChI： InChI=1S/C21H34O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17+,18+,19-,20+,21-/m1/s1
InChI key： YASPNHVWJRCJSJ-MZVBEUMJSA-N
SMILES： CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
Systematic name  (3)：
  • (17α)-12β-ヒドロキシ-5α-プレグナン-20-オン
  • 1-[(1R,3aS,3bR,5aR,9aS,9bS,11R,11aS)-11-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-1-イル]エタン-1-オン
  • 1-[(1R,3aS,3bR,5aR,9aS,9bS,11R,11aS)-11-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1)：
  • (17α)-12β-Hydroxy-5α-pregnan-20-one
CAS registry number： 5618-23-5
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