Chem
J-GLOBAL ID：200907006482803820   Nikkaji number：J524.024G

1,3,3a,6,7,7aα-Hexahydro-4,5,7α-triphenyl-3-oxoisobenzofuran-3aα,6α-dicarboxylic acid dimethyl ester

1,3,3a,6,7,7aα-ヘキサヒドロ-4,5,7α-トリフェニル-3-オキソイソベンゾフラン-3aα,6α-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： C30H26O6
Molecular formula furigana： C30-H26-O6
Molecular weight： 482.532
InChI： InChI=1S/C30H26O6/c1-34-27(31)25-23(19-12-6-3-7-13-19)22-18-36-29(33)30(22,28(32)35-2)26(21-16-10-5-11-17-21)24(25)20-14-8-4-9-15-20/h3-17,22-23,25H,18H2,1-2H3/t22-,23-,25-,30-/m1/s1
InChI key： IZDHSNDTXIPWEJ-KKFZFBAESA-N
SMILES： COC(=O)[C@@H]1[C@@H]([C@H]2COC(=O)[C@@]2(C(=O)OC)C(=C1c1ccccc1)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 1,3,3a,6,7,7aα-ヘキサヒドロ-4,5,7α-トリフェニル-3-オキソイソベンゾフラン-3aα,6α-ジカルボン酸ジメチル
  • 3a,6-ジメチル (3aR,6R,7R,7aR)-3-オキソ-4,5,7-トリフェニル-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-3a,6-ジカルボキシラート
  • 3a,6-dimethyl (3aR,6R,7R,7aR)-3-oxo-4,5,7-triphenyl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-3a,6-dicarboxylate
Other name (1)：
  • 1,3,3a,6,7,7aα-Hexahydro-4,5,7α-triphenyl-3-oxoisobenzofuran-3aα,6α-dicarboxylic acid dimethyl ester
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