Chem
J-GLOBAL ID：200907037823539976   Nikkaji number：J528.497J

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

[[(2S,3R,4S)-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)-7-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： C27H36O12
Molecular formula furigana： C27-H36-O12
Molecular weight： 552.573
InChI： InChI=1S/C27H36O12/c1-35-18-5-12-4-14(9-28)16(11-38-27-26(34)25(33)24(32)21(10-29)39-27)22(15(12)8-17(18)30)13-6-19(36-2)23(31)20(7-13)37-3/h5-8,14,16,21-22,24-34H,4,9-11H2,1-3H3/t14-,16+,21-,22+,24-,25+,26-,27-/m1/s1
InChI key： VCXIGTOXXVZNAE-VZNGAYOESA-N
SMILES： COc1cc2C[C@H](CO)[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](c3cc(OC)c(O)c(OC)c3)c2cc1O
Systematic name  (3)：
  • [[(2S,3R,4S)-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)-7-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-{[(1S,2R,3S)-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-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-{[(1S,2R,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • [[(2S,3R,4S)-1,2,3,4-Tetrahydro-6-hydroxy-2-(hydroxymethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxynaphthalen]-3-yl]methyl β-D-glucopyranoside
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