Chem
J-GLOBAL ID：200907041077231895   Nikkaji number：J1.893.041B

1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O,4-O-tribenzoyl-6-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,4-O-トリベンゾイル-6-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/c1-3-38-72-39-49-51(77-58(66)42-24-12-5-13-25-42)53(78-59(67)43-26-14-6-15-27-43)56(81-62(70)46-32-20-9-21-33-46)64(75-49)82-52-50(40-73-57(65)41-22-10-4-11-23-41)76-63(74-48-36-34-47(71-2)35-37-48)55(80-61(69)45-30-18-8-19-31-45)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： OCQMQGLSZWBCCS-KQXZIRETSA-N
SMILES： COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O[C@@H]3O[C@H](COCC=C)[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-トリベンゾイル-6-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)-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-[(プロパ-2-エン-1-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-[(prop-2-en-1-yloxy)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-tribenzoyl-6-O-allyl-β-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate
Thsaurus map：
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