Chem
J-GLOBAL ID：200907031114244883   Nikkaji number：J528.496A

[[(2R,3S,4R)-1,2,3,4-Tetrahydro-6-hydroxy-2-(hydroxymethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxynaphthalen]-3-yl]methyl β-D-glucopyranoside

[[(2R,3S,4R)-1,2,3,4-テトラヒドロ-6-ヒドロキシ-2-(ヒドロキシメチル)-4-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5,7-ジメトキシナフタレン]-3-イル]メチル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： C28H38O13
Molecular formula furigana： C28-H38-O13
Molecular weight： 582.599
InChI： InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15+,19+,20-,23+,25-,26+,28+/m0/s1
InChI key： PQQRNPDHSJDAGV-BNJSROQMSA-N
SMILES： COc1cc(cc(OC)c1O)[C@H]1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12
Systematic name  (3)：
  • [[(2R,3S,4R)-1,2,3,4-テトラヒドロ-6-ヒドロキシ-2-(ヒドロキシメチル)-4-(4-ヒドロキシ-3,5-ジメトキシフェニル)-5,7-ジメトキシナフタレン]-3-イル]メチルβ-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(1R,2S,3R)-7-ヒドロキシ-1-(4-ヒドロキシ-3,5-ジメトキシフェニル)-3-(ヒドロキシメチル)-6,8-ジメトキシ-1,2,3,4-テトラヒドロナフタレン-2-イル]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1R,2S,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • [[(2R,3S,4R)-1,2,3,4-Tetrahydro-6-hydroxy-2-(hydroxymethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5,7-dimethoxynaphthalen]-3-yl]methyl β-D-glucopyranoside
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