Chem
J-GLOBAL ID：200907061559719357   Nikkaji number：J1.901.600E

(3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)bis(2-methoxy-4,1-phenylene)diα-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)ビス(2-メトキシ-4,1-フェニレン)ジ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： C33H40O16
Molecular formula furigana： C33-H40-O16
Molecular weight： 692.667
InChI： InChI=1S/C33H40O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,24-36,38-43H,14-15H2,1-2H3/t24-,25-,26-,27-,28+,29+,30-,31-,32+,33+/m1/s1
InChI key： HQRWPYNQQYEQRQ-GHVXRXTBSA-N
SMILES： COc1cc(C=CC(=CC(=O)C=Cc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)O)ccc1O[C@H]1O[C@H](CO)[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)ビス(2-メトキシ-4,1-フェニレン)ジα-D-グルコピラノシド
  • 5-ヒドロキシ-1,7-ビス(3-メトキシ-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-1,7-bis(3-methoxy-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)bis(2-methoxy-4,1-phenylene)diα-D-glucopyranoside
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