Chem
J-GLOBAL ID：200907050858010869   Nikkaji number：J2.561.533F

(2R)-2β-(1,3-Benzodioxole-5-yl)-3β,4β-bis(pivaloyloxymethyl)-5α-(3,4-dimethoxyphenyl)tetrahydrofuran

(2R)-2β-(1,3-ベンゾジオキソール-5-イル)-3β,4β-ビス(ピバロイルオキシメチル)-5α-(3,4-ジメトキシフェニル)テトラヒドロフラン
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： C31H40O9
Molecular formula furigana： C31-H40-O9
Molecular weight： 556.652
InChI： InChI=1S/C31H40O9/c1-30(2,3)28(32)36-15-20-21(16-37-29(33)31(4,5)6)27(19-10-12-23-25(14-19)39-17-38-23)40-26(20)18-9-11-22(34-7)24(13-18)35-8/h9-14,20-21,26-27H,15-17H2,1-8H3/t20-,21+,26+,27+/m1/s1
InChI key： XLMUYHZXFTXFKK-OTOHDBPVSA-N
SMILES： COc1ccc(cc1OC)[C@@H]1O[C@H]([C@@H](COC(=O)C(C)(C)C)[C@H]1COC(=O)C(C)(C)C)c1ccc2OCOc2c1
Systematic name  (3)：
  • (2R)-2β-(1,3-ベンゾジオキソール-5-イル)-3β,4β-ビス(ピバロイルオキシメチル)-5α-(3,4-ジメトキシフェニル)テトラヒドロフラン
  • [(2R,3R,4S,5R)-2-(2H-1,3-ベンゾジオキソール-5-イル)-5-(3,4-ジメトキシフェニル)-4-{[(2,2-ジメチルプロパノイル)オキシ]メチル}オキソラン-3-イル]メチル 2,2-ジメチルプロパノアート
  • [(2R,3R,4S,5R)-2-(2H-1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-4-{[(2,2-dimethylpropanoyl)oxy]methyl}oxolan-3-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • (2R)-2β-(1,3-Benzodioxole-5-yl)-3β,4β-bis(pivaloyloxymethyl)-5α-(3,4-dimethoxyphenyl)tetrahydrofuran
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