Chem
J-GLOBAL ID：200907008167954996   Nikkaji number：J1.954.470B

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

(1E,6E)-1,7-ビス[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]-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： C47H52O22
Molecular formula furigana： C47-H52-O22
Molecular weight： 968.911
InChI： InChI=1S/C47H52O22/c1-24(48)58-22-38-40(60-26(3)50)42(62-28(5)52)44(64-30(7)54)46(68-38)66-36-17-11-32(12-18-36)9-15-34(56)21-35(57)16-10-33-13-19-37(20-14-33)67-47-45(65-31(8)55)43(63-29(6)53)41(61-27(4)51)39(69-47)23-59-25(2)49/h9-20,38-47H,21-23H2,1-8H3/b15-9+,16-10+/t38-,39-,40-,41-,42+,43+,44-,45-,46-,47-/m1/s1
InChI key： QMYSASDHDOIPCR-MBVQHWIMSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)CC(=O)/C=C/c3ccc(O[C@@H]4O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)cc3)cc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • (1E,6E)-1,7-ビス[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]-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)-3,5-ジオキソ-7-(4-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}フェニル)ヘプタ-1,6-ジエン-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,6E)-3,5-dioxo-7-(4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}phenyl)hepta-1,6-dien-1-yl]phenoxy}oxan-2-yl]methyl acetate
Other name (1)：
  • (1E,6E)-1,7-Bis[4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyloxy)phenyl]-1,6-heptadiene-3,5-dione
Thsaurus map：
Thesaurus Map

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