Chem
J-GLOBAL ID：201107051826369711   Nikkaji number：J2.965.707F

(1S,2R,3S,4R)-1-[3-Methoxy-4-(benzyloxy)phenyl]-2,3-dimethyl-4-(1,3-benzodioxole-5-yl)butane-1,4-diol

(1S,2R,3S,4R)-1-[3-メトキシ-4-(ベンジルオキシ)フェニル]-2,3-ジメチル-4-(1,3-ベンゾジオキソール-5-イル)ブタン-1,4-ジオール
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： C27H30O6
Molecular formula furigana： C27-H30-O6
Molecular weight： 450.531
InChI： InChI=1S/C27H30O6/c1-17(18(2)27(29)21-10-12-23-25(14-21)33-16-32-23)26(28)20-9-11-22(24(13-20)30-3)31-15-19-7-5-4-6-8-19/h4-14,17-18,26-29H,15-16H2,1-3H3/t17-,18+,26+,27-/m1/s1
InChI key： UGPXHUFHHMAHIA-JDEMJVTFSA-N
SMILES： COc1cc(ccc1OCc1ccccc1)[C@@H](O)[C@H](C)[C@H](C)[C@@H](O)c1ccc2OCOc2c1
Systematic name  (3)：
  • (1S,2R,3S,4R)-1-[3-メトキシ-4-(ベンジルオキシ)フェニル]-2,3-ジメチル-4-(1,3-ベンゾジオキソール-5-イル)ブタン-1,4-ジオール
  • (1R,2S,3R,4S)-1-(2H-1,3-ベンゾジオキソール-5-イル)-4-[4-(ベンジルオキシ)-3-メトキシフェニル]-2,3-ジメチルブタン-1,4-ジオール
  • (1R,2S,3R,4S)-1-(2H-1,3-benzodioxol-5-yl)-4-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
Other name (1)：
  • (1S,2R,3S,4R)-1-[3-Methoxy-4-(benzyloxy)phenyl]-2,3-dimethyl-4-(1,3-benzodioxole-5-yl)butane-1,4-diol
Thsaurus map：
Thesaurus Map

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