Chem
J-GLOBAL ID：200907063436861895   Nikkaji number：J1.893.072B

1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O,6-O-tribenzoyl-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-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： C61H52O18
Molecular formula furigana： C61-H52-O18
Molecular weight： 1073.069
InChI： InChI=1S/C61H52O18/c1-69-44-32-34-45(35-33-44)72-60-53(78-59(68)43-30-18-7-19-31-43)51(76-57(66)41-26-14-5-15-27-41)49(47(74-60)37-71-55(64)39-22-10-3-11-23-39)79-61-52(77-58(67)42-28-16-6-17-29-42)50(75-56(65)40-24-12-4-13-25-40)48(62)46(73-61)36-70-54(63)38-20-8-2-9-21-38/h2-35,46-53,60-62H,36-37H2,1H3/t46-,47-,48+,49-,50+,51+,52-,53-,60-,61+/m1/s1
InChI key： DGGWTEWWARLDQR-YGVWDLIMSA-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](O)[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-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-ヒドロキシオキサン-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-hydroxyoxan-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-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate
Thsaurus map：
Thesaurus Map

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