Chem
J-GLOBAL ID：200907008130333061   Nikkaji number：J1.886.941A

2,6-Dimethoxy-4-[(2R)-3β-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2β-yl]phenyl β-D-glucopyranoside

2,6-ジメトキシ-4-[(2R)-3β-(ヒドロキシメチル)-5-(3-ヒドロキシプロピル)-7-メトキシ-2,3-ジヒドロベンゾフラン-2β-イル]フェニルβ-D-グルコピラノシド
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： C27H36O12
Molecular formula furigana： C27-H36-O12
Molecular weight： 552.573
InChI： InChI=1S/C27H36O12/c1-34-17-8-13(5-4-6-28)7-15-16(11-29)24(38-25(15)17)14-9-18(35-2)26(19(10-14)36-3)39-27-23(33)22(32)21(31)20(12-30)37-27/h7-10,16,20-24,27-33H,4-6,11-12H2,1-3H3/t16-,20+,21+,22-,23+,24-,27-/m0/s1
InChI key： LNLBKOGLAGJCEE-UALHOEMLSA-N
SMILES： COc1cc(CCCO)cc2[C@H](CO)[C@@H](Oc12)c1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
Systematic name  (3)：
  • 2,6-ジメトキシ-4-[(2R)-3β-(ヒドロキシメチル)-5-(3-ヒドロキシプロピル)-7-メトキシ-2,3-ジヒドロベンゾフラン-2β-イル]フェニルβ-D-グルコピラノシド
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-{4-[(2R,3R)-3-(ヒドロキシメチル)-5-(3-ヒドロキシプロピル)-7-メトキシ-2,3-ジヒドロ-1-ベンゾフラン-2-イル]-2,6-ジメトキシフェノキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{4-[(2R,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
Other name (1)：
  • 2,6-Dimethoxy-4-[(2R)-3β-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2β-yl]phenyl β-D-glucopyranoside
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