Chem
J-GLOBAL ID:200907015360745640   Nikkaji number:J1.901.602A

[(3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)dibenzene]4-yl α-D-glucopyranoside

[(3-ヒドロキシ-5-オキソ-ヘプタ-1,3,6-トリエン-1,7-ジイル)ジベンゼン]4-イルα-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: C25H26O8
Molecular formula furigana: C25-H26-O8
Molecular weight: 454.475
InChI: InChI=1S/C25H26O8/c26-15-21-22(29)23(30)24(31)25(33-21)32-20-12-8-17(9-13-20)7-11-19(28)14-18(27)10-6-16-4-2-1-3-5-16/h1-14,21-26,28-31H,15H2/t21-,22-,23+,24-,25+/m1/s1
InChI key: QPYHXSWAXOBQSQ-RXFVIIJJSA-N
SMILES: OC[C@H]1O[C@H](Oc2ccc(C=CC(=CC(=O)C=Cc3ccccc3)O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3):
  • [(3-ヒドロキシ-5-オキソ-ヘプタ-1,3,6-トリエン-1,7-ジイル)ジベンゼン]4-イルα-D-グルコピラノシド
  • 5-ヒドロキシ-1-フェニル-7-(4-{[(2R,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}フェニル)ヘプタ-1,4,6-トリエン-3-オン
  • 5-hydroxy-1-phenyl-7-(4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hepta-1,4,6-trien-3-one
Other name (1):
  • [(3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)dibenzene]4-yl α-D-glucopyranoside
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