Chem
J-GLOBAL ID：200907027545646485   Nikkaji number：J1.901.604H

(3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)bis(2-methoxy-4,1-phenylene)bis(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)ビス(2-メトキシ-4,1-フェニレン)ビス(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： 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/h11-21,40-49,58H,22-23H2,1-10H3/t40-,41-,42-,43-,44+,45+,46-,47-,48+,49+/m1/s1
InChI key： UJXOOVKPSADBCZ-LLIRJIICSA-N
SMILES： COc1cc(C=CC(=CC(=O)C=Cc2ccc(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)O)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)：
  • (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)ビス(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-[5-ヒドロキシ-7-(3-メトキシ-4-{[(2R,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)-3-オキソヘプタ-1,4,6-トリエン-1-イル]-2-メトキシフェノキシ}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-[5-hydroxy-7-(3-methoxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}phenyl)-3-oxohepta-1,4,6-trien-1-yl]-2-methoxyphenoxy}oxan-2-yl]methyl acetate
Other name (1)：
  • (3-Hydroxy-5-oxo-hepta-1,3,6-triene-1,7-diyl)bis(2-methoxy-4,1-phenylene)bis(2-O,3-O,4-O,6-O-tetraacetyl-α-D-glucopyranoside)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM