Chem
J-GLOBAL ID：200907048553109127   Nikkaji number：J1.893.044G

1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O,6-O-tribenzoyl-4-O-allyl-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate

1-O-(4-メトキシフェニル)-4-O-(2-O,3-O,6-O-トリベンゾイル-4-O-アリル-β-D-ガラクトピラノシル)-β-D-グルコピラノース2,3,6-トリベンゾアート
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： C64H56O18
Molecular formula furigana： C64-H56-O18
Molecular weight： 1113.134
InChI： InChI=1S/C64H56O18/c1-3-38-72-51-49(39-73-57(65)41-22-10-4-11-23-41)76-64(55(80-61(69)45-30-18-8-19-31-45)53(51)78-59(67)43-26-14-6-15-27-43)82-52-50(40-74-58(66)42-24-12-5-13-25-42)77-63(75-48-36-34-47(71-2)35-37-48)56(81-62(70)46-32-20-9-21-33-46)54(52)79-60(68)44-28-16-7-17-29-44/h3-37,49-56,63-64H,1,38-40H2,2H3/t49-,50-,51+,52-,53+,54+,55-,56-,63-,64+/m1/s1
InChI key： RUHCGSPAUKURAA-KQXZIRETSA-N
SMILES： COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OCC=C)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1
Systematic name  (3)：
  • 1-O-(4-メトキシフェニル)-4-O-(2-O,3-O,6-O-トリベンゾイル-4-O-アリル-β-D-ガラクトピラノシル)-β-D-グルコピラノース2,3,6-トリベンゾアート
  • [(2R,3R,4S,5R,6S)-4,5-ビス(ベンゾイルオキシ)-3-{[(2S,3R,4S,5S,6R)-3,4-ビス(ベンゾイルオキシ)-6-[(ベンゾイルオキシ)メチル]-5-(プロパ-2-エン-1-イルオキシ)オキサン-2-イル]オキシ}-6-(4-メトキシフェノキシ)オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6S)-4,5-bis(benzoyloxy)-3-{[(2S,3R,4S,5S,6R)-3,4-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-5-(prop-2-en-1-yloxy)oxan-2-yl]oxy}-6-(4-methoxyphenoxy)oxan-2-yl]methyl benzoate
Other name (1)：
  • 1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O,6-O-tribenzoyl-4-O-allyl-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate
Thsaurus map：
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