Chem
J-GLOBAL ID：200907041934749853   Nikkaji number：J1.230.127H

1-O,2-O-[α-(1-O-Methyl-β-D-galactopyranose-6-O-yl)benzylidene]-3-O,4-O-dibenzoyl-α-D-glucopyranuronic acid methyl ester

1-O,2-O-[α-(1-O-メチル-β-D-ガラクトピラノース-6-O-イル)ベンジリデン]-3-O,4-O-ジベンゾイル-α-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： C35H36O15
Molecular formula furigana： C35-H36-O15
Molecular weight： 696.658
InChI： InChI=1S/C35H36O15/c1-42-32(41)28-26(46-30(39)19-12-6-3-7-13-19)27(47-31(40)20-14-8-4-9-15-20)29-34(48-28)50-35(49-29,21-16-10-5-11-17-21)44-18-22-23(36)24(37)25(38)33(43-2)45-22/h3-17,22-29,33-34,36-38H,18H2,1-2H3/t22-,23+,24+,25-,26+,27+,28+,29-,33-,34-,35?/m1/s1
InChI key： AIEQFOWRASYMNK-DBDDOHFSSA-N
SMILES： CO[C@@H]1O[C@H](COC2(O[C@H]3O[C@@H]([C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3O2)C(=O)OC)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-O,2-O-[α-(1-O-メチル-β-D-ガラクトピラノース-6-O-イル)ベンジリデン]-3-O,4-O-ジベンゾイル-α-D-グルコピラヌロン酸メチル
  • メチル (3aR,5S,6S,7S,7aR)-6,7-ビス(ベンゾイルオキシ)-2-フェニル-2-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-メトキシオキサン-2-イル]メトキシ}-ヘキサヒドロ-[1,3]ジオキソロ[4,5-b]ピラン-5-カルボキシラート
  • methyl (3aR,5S,6S,7S,7aR)-6,7-bis(benzoyloxy)-2-phenyl-2-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-carboxylate
Other name (1)：
  • 1-O,2-O-[α-(1-O-Methyl-β-D-galactopyranose-6-O-yl)benzylidene]-3-O,4-O-dibenzoyl-α-D-glucopyranuronic acid methyl ester
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