Chem
J-GLOBAL ID：201207010359874139   Nikkaji number：J3.057.629B

2-Phenyl-3-[(αS)-α-methoxybenzyl]-4-[(E)-1,4-diphenyl-4-oxobutylidene]-4,5,6,7-tetrahydrobenzofuran-6,6-dicarboxylic acid dimethyl ester

2-フェニル-3-[(αS)-α-メトキシベンジル]-4-[(E)-1,4-ジフェニル-4-オキソブチリデン]-4,5,6,7-テトラヒドロベンゾフラン-6,6-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： C42H38O7
Molecular formula furigana： C42-H38-O7
Molecular weight： 654.759
InChI： InChI=1S/C42H38O7/c1-46-38(30-20-12-6-13-21-30)37-36-33(32(28-16-8-4-9-17-28)24-25-34(43)29-18-10-5-11-19-29)26-42(40(44)47-2,41(45)48-3)27-35(36)49-39(37)31-22-14-7-15-23-31/h4-23,38H,24-27H2,1-3H3/b33-32+/t38-/m0/s1
InChI key： XGPUXXHHGBPGSO-QRNWDTCOSA-N
SMILES： CO[C@H](c1c(oc2CC(C/C(=C(/CCC(=O)c3ccccc3)\c3ccccc3)/c12)(C(=O)OC)C(=O)OC)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2-フェニル-3-[(αS)-α-メトキシベンジル]-4-[(E)-1,4-ジフェニル-4-オキソブチリデン]-4,5,6,7-テトラヒドロベンゾフラン-6,6-ジカルボン酸ジメチル
  • 6,6-ジメチル (4E)-3-[(S)-メトキシ(フェニル)メチル]-4-(4-オキソ-1,4-ジフェニルブチリデン)-2-フェニル-4,5,6,7-テトラヒドロ-1-ベンゾフラン-6,6-ジカルボキシラート
  • 6,6-dimethyl (4E)-3-[(S)-methoxy(phenyl)methyl]-4-(4-oxo-1,4-diphenylbutylidene)-2-phenyl-4,5,6,7-tetrahydro-1-benzofuran-6,6-dicarboxylate
Other name (1)：
  • 2-Phenyl-3-[(αS)-α-methoxybenzyl]-4-[(E)-1,4-diphenyl-4-oxobutylidene]-4,5,6,7-tetrahydrobenzofuran-6,6-dicarboxylic acid dimethyl ester
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