Chem
J-GLOBAL ID：200907053542333657   Nikkaji number：J1.893.037D

1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O,4-O,6-O-tetrabenzoyl-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,4-O,6-O-テトラベンゾイル-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： C68H56O19
Molecular formula furigana： C68-H56-O19
Molecular weight： 1177.177
InChI： InChI=1S/C68H56O19/c1-76-50-37-39-51(40-38-50)79-67-58(85-65(74)48-33-19-7-20-34-48)57(84-64(73)47-31-17-6-18-32-47)55(53(80-67)42-78-61(70)44-25-11-3-12-26-44)87-68-59(86-66(75)49-35-21-8-22-36-49)56(83-63(72)46-29-15-5-16-30-46)54(82-62(71)45-27-13-4-14-28-45)52(81-68)41-77-60(69)43-23-9-2-10-24-43/h2-40,52-59,67-68H,41-42H2,1H3/t52-,53-,54+,55-,56+,57+,58-,59-,67-,68+/m1/s1
InChI key： IBRVJKKVQAMSFS-KZPFOFSGSA-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](OC(=O)c4ccccc4)[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,4-O,6-O-テトラベンゾイル-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)-6-(4-メトキシフェノキシ)-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-[(ベンゾイルオキシ)メチル]オキサン-2-イル]オキシ}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)-6-(4-methoxyphenoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-tris(benzoyloxy)-6-[(benzoyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • 1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate
Thsaurus map：
Thesaurus Map

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