Chem
J-GLOBAL ID：201107086826999675   Nikkaji number：J2.965.083G

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

(1S,2R,6R,8R,9S,11S)-4,4-ジメチル-9-(4-メチルフェニル)-11-プロピル-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： C20H28O4
Molecular formula furigana： C20-H28-O4
Molecular weight： 332.440
InChI： InChI=1S/C20H28O4/c1-5-6-14-11-15(13-9-7-12(2)8-10-13)16-17(21-14)18-19(22-16)24-20(3,4)23-18/h7-10,14-19H,5-6,11H2,1-4H3/t14-,15-,16+,17-,18+,19+/m0/s1
InChI key： XQOMEOPNOPQEND-KCTOORRSSA-N
SMILES： CCC[C@H]1C[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)c1ccc(C)cc1
Systematic name  (3)：
  • 5β-プロピル-7β-(4-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,11S)-4,4-ジメチル-9-(4-メチルフェニル)-11-プロピル-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,11S)-4,4-dimethyl-9-(4-methylphenyl)-11-propyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
Other name (1)：
  • 5β-Propyl-7β-(4-methylphenyl)-2,2-dimethyl-3aβ,3bα,6,7,7aα,8aβ-hexahydro-2H,5H-1,3,4,8-tetraoxacyclopenta[a]indene
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