Chem
J-GLOBAL ID:200907000612644853   Nikkaji number:J2.741.946A

3-Methoxy-16-methyl-16,17-secoestra-1,3,5(10)-triene-17-one N-(2,4-dinitrophenyl)hydrazone

3-メトキシ-16-メチル-16,17-セコエストラ-1,3,5(10)-トリエン-17-オンN-(2,4-ジニトロフェニル)ヒドラゾン
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: C26H32N2[N+]2O3[O-]2
Molecular formula furigana: C26-H32-N4-O5
Molecular weight: 480.565
InChI: InChI=1S/C26H32N4O5/c1-4-5-23-22-9-6-17-14-19(35-3)8-10-20(17)21(22)12-13-26(23,2)16-27-28-24-11-7-18(29(31)32)15-25(24)30(33)34/h7-8,10-11,14-16,21-23,28H,4-6,9,12-13H2,1-3H3/t21-,22-,23+,26-/m1/s1
InChI key: QKKNQNFAJSFPKC-KWNHSTDBSA-N
SMILES: CCC[C@H]1[C@@H]2CCc3cc(OC)ccc3[C@H]2CC[C@]1(C)C=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3):
  • 3-メトキシ-16-メチル-16,17-セコエストラ-1,3,5(10)-トリエン-17-オンN-(2,4-ジニトロフェニル)ヒドラゾン
  • 1-{[(1S,2S,4aS,10aR)-7-メトキシ-2-メチル-1-プロピル-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-2-イル]メチリデン}-2-(2,4-ジニトロフェニル)ヒドラジン
  • 1-{[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-yl]methylidene}-2-(2,4-dinitrophenyl)hydrazine
Other name (1):
  • 3-Methoxy-16-methyl-16,17-secoestra-1,3,5(10)-triene-17-one N-(2,4-dinitrophenyl)hydrazone
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