Chem
J-GLOBAL ID：200907054344195547   Nikkaji number：J303.918H

Pregnenolone-16α-carbonitrile

プレグネノロン-16α-カルボニトリル
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： C22H31NO2
Molecular formula furigana： C22-H31-N-O2
Molecular weight： 341.495
InChI： InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
InChI key： VSBHRRMYCDQLJF-ZDNYCOCVSA-N
SMILES： CC(=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C#N
Systematic name  (4)：
  • 3β-ヒドロキシ-20-オキソプレグナ-5-エン-16α-カルボニトリル
  • 16α-シアノ-3β-ヒドロキシプレグナ-5-エン-20-オン
  • (1S,2R,3aS,3bS,7S,9aR,9bS,11aS)-1-アセチル-7-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-2-カルボニトリル
  • (1S,2R,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2-carbonitrile
Other name (6)：
  • Pregnenolone-16α-carbonitrile
  • プレグネノロン-16α-カルボニトリル
  • Pregnenolone 16α-carbonitrile
  • プレグネノロン16α-カルボニトリル
  • 16α-Cyano-3β-hydroxypregn-5-en-20-one
Show all
CAS registry number： 1434-54-4
KEGG COMPOUND： C15637
Application (1)：
enzyme induction
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