Chem
J-GLOBAL ID：200907093555042980
Nikkaji number：J2.356.475K
2,2′-Methylenebis[(S)-2β,6-dimethyl-5-butyl-1,3-benzodioxole]
2,2′-メチレンビス[(S)-2β,6-ジメチル-5-ブチル-1,3-ベンゾジオキソール]
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
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
Molecular formula： C27H36O4
Molecular formula furigana： C27-H36-O4
Molecular weight： 424.581
InChI：
InChI=1S/C27H36O4/c1-7-9-11-20-15-24-22(13-18(20)3)28-26(5,30-24)17-27(6)29-23-14-19(4)21(12-10-8-2)16-25(23)31-27/h13-16H,7-12,17H2,1-6H3/t26-,27-/m0/s1
InChI key：
KLVUGYTVQYIUIZ-SVBPBHIXSA-N
SMILES：
CCCCc1cc2O[C@@](C)(C[C@@]3(C)Oc4cc(C)c(CCCC)cc4O3)Oc2cc1C
Systematic name (3)：
- 2,2′-メチレンビス[(S)-2β,6-ジメチル-5-ブチル-1,3-ベンゾジオキソール]
- (2S)-5-ブチル-2-{[(2S)-5-ブチル-2,6-ジメチル-2H-1,3-ベンゾジオキソール-2-イル]メチル}-2,6-ジメチル-2H-1,3-ベンゾジオキソール
- (2S)-5-butyl-2-{[(2S)-5-butyl-2,6-dimethyl-2H-1,3-benzodioxol-2-yl]methyl}-2,6-dimethyl-2H-1,3-benzodioxole
- 2,2′-Methylenebis[(S)-2β,6-dimethyl-5-butyl-1,3-benzodioxole]
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