Chem
J-GLOBAL ID：200907042527337512   Nikkaji number：J2.263.413E

Diacetic acid [(2S)-2α-(4-methoxy-1,3-benzodioxole-6-yl)-5α-(3,4,5-trimethoxyphenyl)tetrahydrofuran]-3β,4α-diylbismethylene ester

二酢酸[(2S)-2α-(4-メトキシ-1,3-ベンゾジオキソール-6-イル)-5α-(3,4,5-トリメトキシフェニル)テトラヒドロフラン]-3β,4α-ジイルビスメチレン
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： C27H32O11
Molecular formula furigana： C27-H32-O11
Molecular weight： 532.542
InChI： InChI=1S/C27H32O11/c1-14(28)34-11-18-19(12-35-15(2)29)25(17-9-22(32-5)27-23(10-17)36-13-37-27)38-24(18)16-7-20(30-3)26(33-6)21(8-16)31-4/h7-10,18-19,24-25H,11-13H2,1-6H3/t18-,19-,24-,25+/m0/s1
InChI key： UVWBHXGZPOXUHT-QXVOXHNYSA-N
SMILES： COc1cc(cc2OCOc12)[C@H]1O[C@H]([C@@H](COC(=O)C)[C@@H]1COC(=O)C)c1cc(OC)c(OC)c(OC)c1
Systematic name  (3)：
  • 二酢酸[(2S)-2α-(4-メトキシ-1,3-ベンゾジオキソール-6-イル)-5α-(3,4,5-トリメトキシフェニル)テトラヒドロフラン]-3β,4α-ジイルビスメチレン
  • [(2R,3R,4R,5S)-4-[(アセチルオキシ)メチル]-5-(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)-2-(3,4,5-トリメトキシフェニル)オキソラン-3-イル]メチル アセタート
  • [(2R,3R,4R,5S)-4-[(acetyloxy)methyl]-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl acetate
Other name (1)：
  • Diacetic acid [(2S)-2α-(4-methoxy-1,3-benzodioxole-6-yl)-5α-(3,4,5-trimethoxyphenyl)tetrahydrofuran]-3β,4α-diylbismethylene ester
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