Chem
J-GLOBAL ID：200907033317374343   Nikkaji number：J1.954.473G

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

(1E,6E)-1,7-ビス[3-メトキシ-4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシルオキシ)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： C49H56O24
Molecular formula furigana： C49-H56-O24
Molecular weight： 1028.963
InChI： InChI=1S/C49H56O24/c1-24(50)62-22-40-42(64-26(3)52)44(66-28(5)54)46(68-30(7)56)48(72-40)70-36-17-13-32(19-38(36)60-9)11-15-34(58)21-35(59)16-12-33-14-18-37(39(20-33)61-10)71-49-47(69-31(8)57)45(67-29(6)55)43(65-27(4)53)41(73-49)23-63-25(2)51/h11-20,40-49H,21-23H2,1-10H3/b15-11+,16-12+/t40-,41-,42+,43+,44+,45+,46-,47-,48-,49-/m1/s1
InChI key： PPXHHRCIDUPBIM-DKOLEGQISA-N
SMILES： COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)c(OC)c2)ccc1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3)：
  • (1E,6E)-1,7-ビス[3-メトキシ-4-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシルオキシ)フェニル]-1,6-ヘプタジエン-3,5-ジオン
  • [(2R,3S,4S,5R,6S)-3,4,5-トリス(アセチルオキシ)-6-{2-メトキシ-4-[(1E,6E)-7-(3-メトキシ-4-{[(2S,3R,4S,5S,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)-3,5-ジオキソヘプタ-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,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{2-methoxy-4-[(1E,6E)-7-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}phenyl)-3,5-dioxohepta-1,6-dien-1-yl]phenoxy}oxan-2-yl]methyl acetate
Other name (1)：
  • (1E,6E)-1,7-Bis[3-methoxy-4-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyloxy)phenyl]-1,6-heptadiene-3,5-dione
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