Chem
J-GLOBAL ID：201107076287071820   Nikkaji number：J2.965.090J

5β-Propyl-7β-(3,4-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,11S)-9-(3,4-ジメチルフェニル)-4,4-ジメチル-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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-6-7-15-11-16(14-9-8-12(2)13(3)10-14)17-18(22-15)19-20(23-17)25-21(4,5)24-19/h8-10,15-20H,6-7,11H2,1-5H3/t15-,16-,17+,18-,19+,20+/m0/s1
InChI key： UELDFPXPBZJPSV-AXGBLAMUSA-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)c(C)c1
Systematic name  (3)：
  • 5β-プロピル-7β-(3,4-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,11S)-9-(3,4-ジメチルフェニル)-4,4-ジメチル-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)-9-(3,4-dimethylphenyl)-4,4-dimethyl-11-propyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
Other name (1)：
  • 5β-Propyl-7β-(3,4-dimethylphenyl)-2,2-dimethyl-3aβ,3bα,6,7,7aα,8aβ-hexahydro-2H,5H-1,3,4,8-tetraoxacyclopenta[a]indene
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