Chem
J-GLOBAL ID：200907082597998259   Nikkaji number：J1.901.603J

[(3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)dibenzene]4-yl 2-O,3-O,4-O,6-O-tetraacetyl-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2-O,3-O,4-O,6-O-テトラアセチル-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： C33H34O12
Molecular formula furigana： C33-H34-O12
Molecular weight： 622.623
InChI： InChI=1S/C33H34O12/c1-20(34)40-19-29-30(41-21(2)35)31(42-22(3)36)32(43-23(4)37)33(45-29)44-28-16-12-25(13-17-28)11-15-27(39)18-26(38)14-10-24-8-6-5-7-9-24/h5-18,29-33,39H,19H2,1-4H3/t29-,30-,31+,32-,33+/m1/s1
InChI key： UDGSPXVJRFHSTD-AALIFHQRSA-N
SMILES： CC(=O)OC[C@H]1O[C@H](Oc2ccc(C=CC(=CC(=O)C=Cc3ccccc3)O)cc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
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2-O,3-O,4-O,6-O-テトラアセチル-α-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[4-(3-ヒドロキシ-5-オキソ-7-フェニルヘプタ-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,6R)-3,4,5-tris(acetyloxy)-6-[4-(3-hydroxy-5-oxo-7-phenylhepta-1,3,6-trien-1-yl)phenoxy]oxan-2-yl]methyl acetate
Other name (1)：
  • [(3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)dibenzene]4-yl 2-O,3-O,4-O,6-O-tetraacetyl-α-D-glucopyranoside
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