Chem
J-GLOBAL ID：201107000159447225   Nikkaji number：J2.965.086A

5β-(3-Chlorophenyl)-7β-(2,3-dimethylphenyl)-2,2-dimethyl-3aβ,3bα,6,7,7aα,8aβ-hexahydro-2H,5H-1,3,4,8-tetraoxacyclopenta[a]indene

(1S,2R,6R,8R,9S,11R)-11-(3-クロロフェニル)-9-(2,3-ジメチルフェニル)-4,4-ジメチル-3,5,7,12-テトラオキサトリシクロ[6.4.0.02,6]ドデカン
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： C24H27ClO4
Molecular formula furigana： C24-H27-CL-O4
Molecular weight： 414.930
InChI： InChI=1S/C24H27ClO4/c1-13-7-5-10-17(14(13)2)18-12-19(15-8-6-9-16(25)11-15)26-21-20(18)27-23-22(21)28-24(3,4)29-23/h5-11,18-23H,12H2,1-4H3/t18-,19+,20+,21-,22+,23+/m0/s1
InChI key： ATJKNBWSUQKGAJ-JBAFQVTRSA-N
SMILES： Cc1cccc([C@@H]2C[C@@H](O[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@H]23)c2cccc(Cl)c2)c1C
Systematic name  (3)：
  • 5β-(3-クロロフェニル)-7β-(2,3-ジメチルフェニル)-2,2-ジメチル-3aβ,3bα,6,7,7aα,8aβ-ヘキサヒドロ-2H,5H-1,3,4,8-テトラオキサシクロペンタ[a]インデン
  • (1S,2R,6R,8R,9S,11R)-11-(3-クロロフェニル)-9-(2,3-ジメチルフェニル)-4,4-ジメチル-3,5,7,12-テトラオキサトリシクロ[6.4.0.02,6]ドデカン
  • (1S,2R,6R,8R,9S,11R)-11-(3-chlorophenyl)-9-(2,3-dimethylphenyl)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
Other name (1)：
  • 5β-(3-Chlorophenyl)-7β-(2,3-dimethylphenyl)-2,2-dimethyl-3aβ,3bα,6,7,7aα,8aβ-hexahydro-2H,5H-1,3,4,8-tetraoxacyclopenta[a]indene
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