Chem
J-GLOBAL ID：200907036090127939   Nikkaji number：J1.521.287J

2,2′,3α,3′β-Tetraphenyl-[5,5′-(p-phenylene)bis[3aβ,6aβ-dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione]]

2,2′,3α,3′β-テトラフェニル-[5,5′-(p-フェニレン)ビス[3aβ,6aβ-ジヒドロ-2H-ピロロ[3,4-d]イソオキサゾール-4,6(3H,5H)-ジオン]]
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： C40H30N4O6
Molecular formula furigana： C40-H30-N4-O6
Molecular weight： 662.702
InChI： InChI=1S/C40H30N4O6/c45-37-31-33(25-13-5-1-6-14-25)43(29-17-9-3-10-18-29)49-35(31)39(47)41(37)27-21-23-28(24-22-27)42-38(46)32-34(26-15-7-2-8-16-26)44(50-36(32)40(42)48)30-19-11-4-12-20-30/h1-24,31-36H/t31-,32-,33-,34+,35+,36+/m0/s1
InChI key： KCXZGRQSZRTHHV-FRMKCVIWSA-N
SMILES： O=C1[C@@H]2ON([C@H]([C@@H]2C(=O)N1c1ccc(cc1)N1C(=O)[C@@H]2ON([C@@H]([C@@H]2C1=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2,2′,3α,3′β-テトラフェニル-[5,5′-(p-フェニレン)ビス[3aβ,6aβ-ジヒドロ-2H-ピロロ[3,4-d]イソオキサゾール-4,6(3H,5H)-ジオン]]
  • (3R,3aS,6aR)-5-{4-[(3S,3aS,6aR)-4,6-ジオキソ-2,3-ジフェニル-ヘキサヒドロ-2H-ピロロ[3,4-d][1,2]オキサゾール-5-イル]フェニル}-2,3-ジフェニル-ヘキサヒドロ-2H-ピロロ[3,4-d][1,2]オキサゾール-4,6-ジオン
  • (3R,3aS,6aR)-5-{4-[(3S,3aS,6aR)-4,6-dioxo-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl}-2,3-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Other name (1)：
  • 2,2′,3α,3′β-Tetraphenyl-[5,5′-(p-phenylene)bis[3aβ,6aβ-dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione]]
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