Chem
J-GLOBAL ID：201107058966376020   Nikkaji number：J2.965.089F

5β-Propyl-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,11S)-9-(2,3-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/c1-6-8-14-11-16(15-10-7-9-12(2)13(15)3)17-18(22-14)19-20(23-17)25-21(4,5)24-19/h7,9-10,14,16-20H,6,8,11H2,1-5H3/t14-,16-,17+,18-,19+,20+/m0/s1
InChI key： TUDLHBKIAQGXIW-DDKAMPBXSA-N
SMILES： CCC[C@H]1C[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)c1cccc(C)c1C
Systematic name  (3)：
  • 5β-プロピル-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,11S)-9-(2,3-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-(2,3-dimethylphenyl)-4,4-dimethyl-11-propyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
Other name (1)：
  • 5β-Propyl-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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