Chem
J-GLOBAL ID：200907004237796786   Nikkaji number：J529.303K

1-[2-Oxo-2-[2-(20-oxopregn-4-en-3-ylidene)hydrazino]ethyl]pyridinium

1-[2-オキソ-2-[2-(20-オキソプレグナ-4-エン-3-イリデン)ヒドラジノ]エチル]ピリジニウム
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： C28H38N2[N+]O2
Molecular formula furigana： C28-H38-N3-O2
Molecular weight： 448.630
InChI： InChI=1S/C28H37N3O2/c1-19(32)23-9-10-24-22-8-7-20-17-21(29-30-26(33)18-31-15-5-4-6-16-31)11-13-27(20,2)25(22)12-14-28(23,24)3/h4-6,15-17,22-25H,7-14,18H2,1-3H3/p+1/t22-,23+,24-,25-,27-,28+/m0/s1
InChI key： PRYCNROOKGUXLQ-DGPLORIASA-O
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NNC(=O)C[n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 1-[2-オキソ-2-[2-(20-オキソプレグナ-4-エン-3-イリデン)ヒドラジノ]エチル]ピリジニウム
  • 1-({N'-[(1S,3aS,3bS,9aR,9bS,11aS)-1-アセチル-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イリデン]ヒドラジンカルボニル}メチル)ピリジン-1-イウム
  • 1-({N'-[(1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ylidene]hydrazinecarbonyl}methyl)pyridin-1-ium
Other name (1)：
  • 1-[2-Oxo-2-[2-(20-oxopregn-4-en-3-ylidene)hydrazino]ethyl]pyridinium
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