Chem
J-GLOBAL ID：201207000438816378   Nikkaji number：J3.062.599D

1-(3-Fluorobenzylidene)-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester

1-(3-フルオロベンジリデン)-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： C31H23FO6
Molecular formula furigana： C31-H23-F-O6
Molecular weight： 510.517
InChI： InChI=1S/C31H23FO6/c1-37-28(35)25-26(20-11-5-3-6-12-20)30(21-13-7-4-8-14-21)18-24(33)23(17-19-10-9-15-22(32)16-19)31(30,27(25)34)29(36)38-2/h3-17H,18H2,1-2H3/t30-,31-/m0/s1
InChI key： FCBJCJDUVGRTOZ-CONSDPRKSA-N
SMILES： COC(=O)C1=C(c2ccccc2)[C@]2(CC(=O)C(=Cc3cccc(F)c3)[C@@]2(C(=O)OC)C1=O)c1ccccc1
Systematic name  (3)：
  • 1-(3-フルオロベンジリデン)-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,6aS)-4-[(3-フルオロフェニル)メチリデン]-3,5-ジオキソ-1,6a-ジフェニル-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,6aS)-4-[(3-fluorophenyl)methylidene]-3,5-dioxo-1,6a-diphenyl-3,3a,4,5,6,6a-hexahydropentalene-2,3a-dicarboxylate
Other name (1)：
  • 1-(3-Fluorobenzylidene)-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester
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