Chem
J-GLOBAL ID：200907084731449049   Nikkaji number：J818.129B

2-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(β-D-glucopyranosyloxy)-4-[(Z)-hydroxymethylene]-8-hydroxy-1-oxonia-6-oxa-6H-phenalen-5(4H)-one

2-(3,5-ジメトキシ-4-ヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-4-[(Z)-ヒドロキシメチレン]-8-ヒドロキシ-1-オキソニア-6-オキサ-6H-フェナレン-5(4H)-オン
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： C26H25O13[O+]
Molecular formula furigana： C26-H25-O14
Molecular weight： 561.471
InChI： InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)30)23-24(40-26-22(33)21(32)20(31)16(8-28)39-26)17-11(7-27)25(34)38-13-6-10(29)5-12(37-23)18(13)17/h3-7,16,20-22,26,28,31-33H,8H2,1-2H3,(H2-,27,29,30,34)/p+1/t16-,20-,21+,22-,26+/m1/s1
InChI key： JFZGELASTHTLTI-DMRYIZGCSA-O
SMILES： COc1cc(cc(OC)c1O)c1[o+]c2cc(O)cc3oc(=O)/c(=C\O)/c(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c23
Systematic name  (3)：
  • 2-(3,5-ジメトキシ-4-ヒドロキシフェニル)-3-(β-D-グルコピラノシルオキシ)-4-[(Z)-ヒドロキシメチレン]-8-ヒドロキシ-1-オキソニア-6-オキサ-6H-フェナレン-5(4H)-オン
  • (6Z)-11-ヒドロキシ-3-(4-ヒドロキシ-3,5-ジメトキシフェニル)-6-(ヒドロキシメチリデン)-7-オキソ-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2λ4,8-ジオキサトリシクロ[7.3.1.05,13]トリデカ-1,3,5(13),9,11-ペンタエン-2-イリウム
  • (6Z)-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethylidene)-7-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ4,8-dioxatricyclo[7.3.1.05,13]trideca-1,3,5(13),9,11-pentaen-2-ylium
Other name (1)：
  • 2-(3,5-Dimethoxy-4-hydroxyphenyl)-3-(β-D-glucopyranosyloxy)-4-[(Z)-hydroxymethylene]-8-hydroxy-1-oxonia-6-oxa-6H-phenalen-5(4H)-one
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