Chem
J-GLOBAL ID：200907035850572303   Nikkaji number：J1.893.062E

1-O-Allyl-2-O,3-O-dibenzoyl-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-glucopyranuronic acid methyl ester

1-O-アリル-2-O,3-O-ジベンゾイル-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-グルコピラヌロン酸メチル
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： C47H46O15
Molecular formula furigana： C47-H46-O15
Molecular weight： 850.870
InChI： InChI=1S/C47H46O15/c1-4-26-53-35-34-33(28-55-45(60-34)32-24-16-9-17-25-32)56-47(39(35)58-42(49)30-20-12-7-13-21-30)61-36-37(57-41(48)29-18-10-6-11-19-29)40(59-43(50)31-22-14-8-15-23-31)46(54-27-5-2)62-38(36)44(51)52-3/h4-25,33-40,45-47H,1-2,26-28H2,3H3/t33-,34+,35+,36+,37+,38+,39-,40-,45?,46-,47-/m1/s1
InChI key： XSZXVEFKZVKYCL-XWCOKVBFSA-N
SMILES： COC(=O)[C@H]1O[C@@H](OCC=C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1O[C@H]1O[C@@H]2COC(O[C@@H]2[C@H](OCC=C)[C@H]1OC(=O)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 1-O-アリル-2-O,3-O-ジベンゾイル-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-グルコピラヌロン酸メチル
  • メチル (2S,3S,4S,5R,6R)-3-{[(4aR,6R,7R,8S,8aS)-7-(ベンゾイルオキシ)-2-フェニル-8-(プロパ-2-エン-1-イルオキシ)-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]オキシ}-4,5-ビス(ベンゾイルオキシ)-6-(プロパ-2-エン-1-イルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-3-{[(4aR,6R,7R,8S,8aS)-7-(benzoyloxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-4,5-bis(benzoyloxy)-6-(prop-2-en-1-yloxy)oxane-2-carboxylate
Other name (1)：
  • 1-O-Allyl-2-O,3-O-dibenzoyl-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-glucopyranuronic acid methyl ester
Thsaurus map：
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