Chem
J-GLOBAL ID:202007014483335643   Nikkaji number:J3.755.005A

methyl (1S,2S,5Z,6S,7R,8R,9R)-9-cyano-2-isopropyl-5-[(4-methylphenyl)methylidene]-11-oxo-8-phenyl-3-oxatricyclo[5.2.2.02,6]undecane-9-carboxylate

メチル(1S,2S,5Z,6S,7R,8R,9R)-9-シアノ-2-イソプロピル-5-[(4-メチルフェニル)メチリデン]-11-オキソ-8-フェニル-3-オキサトリシクロ[5.2.2.02,6]ウンデカン-9-カルボキシラート
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: C30H31NO4
Molecular formula furigana: C30-H31-N-O4
Molecular weight: 469.581
InChI: InChI=1S/C30H31NO4/c1-18(2)30-24-15-23(32)25(27(30)22(16-35-30)14-20-12-10-19(3)11-13-20)26(21-8-6-5-7-9-21)29(24,17-31)28(33)34-4/h5-14,18,24-27H,15-16H2,1-4H3/b22-14+/t24-,25+,26-,27+,29-,30-/m0/s1
InChI key: XKFUAAMAGCSOJR-QCBOGNDVSA-N
SMILES: [C@@H]12[C@@H]([C@@]([C@@H]([C@]3([C@@H]1/C(=C/c1ccc(cc1)C)/CO3)C(C)C)CC2=O)(C#N)C(=O)OC)c1ccccc1
Systematic name  (3):
  • (3aS,4R,5R,6R,7S,7aS)-オクタヒドロ-6-シアノ-7a-イソプロピル-5-フェニル-3-(4-メチルベンジリデン)-6-(メトキシカルボニル)-4,7-エタノベンゾフラン-9-オン
  • メチル(1S,2S,5Z,6S,7R,8R,9R)-9-シアノ-5-[(4-メチルフェニル)メチリデン]-11-オキソ-8-フェニル-2-(プロパン-2-イル)-3-オキサトリシクロ[5.2.2.02,6]ウンデカン-9-カルボキシラート
  • methyl (1S,2S,5Z,6S,7R,8R,9R)-9-cyano-5-[(4-methylphenyl)methylidene]-11-oxo-8-phenyl-2-(propan-2-yl)-3-oxatricyclo[5.2.2.02,6]undecane-9-carboxylate
Other name (2):
  • メチル(1S,2S,5Z,6S,7R,8R,9R)-9-シアノ-2-イソプロピル-5-[(4-メチルフェニル)メチリデン]-11-オキソ-8-フェニル-3-オキサトリシクロ[5.2.2.02,6]ウンデカン-9-カルボキシラート
  • methyl (1S,2S,5Z,6S,7R,8R,9R)-9-cyano-2-isopropyl-5-[(4-methylphenyl)methylidene]-11-oxo-8-phenyl-3-oxatricyclo[5.2.2.02,6]undecane-9-carboxylate
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