Chem
J-GLOBAL ID：201207015803518370   Nikkaji number：J3.030.771B

1-[(E)-Benzylidene]-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester

1-[(E)-ベンジリデン]-2,6-ジオキソ-3aβ,4-ジフェニル-1,2,3,3a,6,6a-ヘキサヒドロペンタレン-5,6aβ-ジカルボン酸ジメチル
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： C31H24O6
Molecular formula furigana： C31-H24-O6
Molecular weight： 492.527
InChI： InChI=1S/C31H24O6/c1-36-28(34)25-26(21-14-8-4-9-15-21)30(22-16-10-5-11-17-22)19-24(32)23(18-20-12-6-3-7-13-20)31(30,27(25)33)29(35)37-2/h3-18H,19H2,1-2H3/b23-18-/t30-,31-/m0/s1
InChI key： BJIXYTRMFXZKPD-CLWDDHCWSA-N
SMILES： COC(=O)C1=C(c2ccccc2)[C@]2(CC(=O)/C(=C/c3ccccc3)/[C@@]2(C(=O)OC)C1=O)c1ccccc1
Systematic name  (4)：
  • (3aR)-1,6aβ-ジフェニル-3,5-ジオキソ-4-[(E)-ベンジリデン]-3,3a,4,5,6,6a-ヘキサヒドロペンタレン-2,3aβ-ジカルボン酸ジメチル
  • 1-[(E)-ベンジリデン]-2,6-ジオキソ-3aβ,4-ジフェニル-1,2,3,3a,6,6a-ヘキサヒドロペンタレン-5,6aβ-ジカルボン酸ジメチル
  • 2,3a-ジメチル (3aR,4E,6aS)-3,5-ジオキソ-1,6a-ジフェニル-4-(フェニルメチリデン)-3,3a,4,5,6,6a-ヘキサヒドロペンタレン-2,3a-ジカルボキシラート
  • 2,3a-dimethyl (3aR,4E,6aS)-3,5-dioxo-1,6a-diphenyl-4-(phenylmethylidene)-3,3a,4,5,6,6a-hexahydropentalene-2,3a-dicarboxylate
Other name (2)：
  • (3aR)-1,6aβ-Diphenyl-3,5-dioxo-4-[(E)-benzylidene]-3,3a,4,5,6,6a-hexahydropentalene-2,3aβ-dicarboxylic acid dimethyl ester
  • 1-[(E)-Benzylidene]-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester
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