Chem
J-GLOBAL ID：200907031732342535   Nikkaji number：J1.954.468K

(1E,6E)-1-[3-Methoxy-4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)phenyl]-7-(3-methoxy-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione

(1E,6E)-1-[3-メトキシ-4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)フェニル]-7-(3-メトキシ-4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
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： C35H38O15
Molecular formula furigana： C35-H38-O15
Molecular weight： 698.674
InChI： InChI=1S/C35H38O15/c1-19(36)45-18-31-32(46-20(2)37)33(47-21(3)38)34(48-22(4)39)35(50-31)49-28-14-10-24(16-30(28)44-6)8-12-26(41)17-25(40)11-7-23-9-13-27(42)29(15-23)43-5/h7-16,31-35,42H,17-18H2,1-6H3/b11-7+,12-8+/t31-,32-,33+,34-,35-/m1/s1
InChI key： ZPCXLDULYMPJJJ-LQDMBHTNSA-N
SMILES： COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)c(OC)c2)ccc1O
Systematic name  (3)：
  • (1E,6E)-1-[3-メトキシ-4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)フェニル]-7-(3-メトキシ-4-ヒドロキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-{4-[(1E,6E)-7-(4-ヒドロキシ-3-メトキシフェニル)-3,5-ジオキソヘプタ-1,6-ジエン-1-イル]-2-メトキシフェノキシ}オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxan-2-yl]methyl acetate
Other name (1)：
  • (1E,6E)-1-[3-Methoxy-4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)phenyl]-7-(3-methoxy-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione
Thsaurus map：
Thesaurus Map

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