Chem
J-GLOBAL ID：200907093693064013   Nikkaji number：J2.215.595D

(1E,4Z,6E)-1-(4-Hydroxyphenyl)-7-[4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)phenyl]-5-hydroxy-1,4,6-heptatriene-3-one

(1E,4Z,6E)-1-(4-ヒドロキシフェニル)-7-[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]-5-ヒドロキシ-1,4,6-ヘプタトリエン-3-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： C33H34O13
Molecular formula furigana： C33-H34-O13
Molecular weight： 638.622
InChI： InChI=1S/C33H34O13/c1-19(34)41-18-29-30(42-20(2)35)31(43-21(3)36)32(44-22(4)37)33(46-29)45-28-15-9-24(10-16-28)8-14-27(40)17-26(39)13-7-23-5-11-25(38)12-6-23/h5-17,29-33,38,40H,18H2,1-4H3/b13-7+,14-8+,27-17-/t29-,30-,31+,32-,33-/m1/s1
InChI key： UIRJTJHLYJGJTQ-GNJPAQEVSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=C/C(=O)/C=C/c3ccc(O)cc3)/O)cc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • (1E,4Z,6E)-1-(4-ヒドロキシフェニル)-7-[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]-5-ヒドロキシ-1,4,6-ヘプタトリエン-3-オン
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-{4-[(1E,3Z,6E)-3-ヒドロキシ-7-(4-ヒドロキシフェニル)-5-オキソヘプタ-1,3,6-トリエン-1-イル]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,3Z,6E)-3-hydroxy-7-(4-hydroxyphenyl)-5-oxohepta-1,3,6-trien-1-yl]phenoxy}oxan-2-yl]methyl acetate
Other name (1)：
  • (1E,4Z,6E)-1-(4-Hydroxyphenyl)-7-[4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)phenyl]-5-hydroxy-1,4,6-heptatriene-3-one
Thsaurus map：
Thesaurus Map

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