Chem
J-GLOBAL ID：201107077196551256   Nikkaji number：J2.965.711D

Benzoic acid 2-methoxy-4-[(2S)-3α,4α-dimethyl-5β-(1,3-benzodioxole-5-yl)tetrahydrofuran-2α-yl]phenyl ester

安息香酸2-メトキシ-4-[(2S)-3α,4α-ジメチル-5β-(1,3-ベンゾジオキソール-5-イル)テトラヒドロフラン-2α-イル]フェニル
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： C27H26O6
Molecular formula furigana： C27-H26-O6
Molecular weight： 446.499
InChI： InChI=1S/C27H26O6/c1-16-17(2)26(20-9-11-21-24(14-20)31-15-30-21)33-25(16)19-10-12-22(23(13-19)29-3)32-27(28)18-7-5-4-6-8-18/h4-14,16-17,25-26H,15H2,1-3H3/t16-,17+,25+,26+/m1/s1
InChI key： MBQYMJCTTUTZER-ZSMYEMOWSA-N
SMILES： COc1cc(ccc1OC(=O)c1ccccc1)[C@H]1O[C@@H]([C@@H](C)[C@H]1C)c1ccc2OCOc2c1
Systematic name  (3)：
  • 安息香酸2-メトキシ-4-[(2S)-3α,4α-ジメチル-5β-(1,3-ベンゾジオキソール-5-イル)テトラヒドロフラン-2α-イル]フェニル
  • 4-[(2S,3R,4S,5S)-5-(2H-1,3-ベンゾジオキソール-5-イル)-3,4-ジメチルオキソラン-2-イル]-2-メトキシフェニル ベンゾアート
  • 4-[(2S,3R,4S,5S)-5-(2H-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenyl benzoate
Other name (1)：
  • Benzoic acid 2-methoxy-4-[(2S)-3α,4α-dimethyl-5β-(1,3-benzodioxole-5-yl)tetrahydrofuran-2α-yl]phenyl ester
Thsaurus map：
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