Chem
J-GLOBAL ID：200907094837727213   Nikkaji number：J1.230.129D

1-O,2-O-[α-(1-O-Methyl-β-D-galactopyranose-6-O-yl)benzylidene]-3-O,4-O-dipivaloyl-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-ジピバロイル-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： C31H44O15
Molecular formula furigana： C31-H44-O15
Molecular weight： 656.678
InChI： InChI=1S/C31H44O15/c1-29(2,3)27(36)43-20-21(44-28(37)30(4,5)6)23-26(42-22(20)24(35)38-7)46-31(45-23,15-12-10-9-11-13-15)40-14-16-17(32)18(33)19(34)25(39-8)41-16/h9-13,16-23,25-26,32-34H,14H2,1-8H3/t16-,17+,18+,19-,20+,21+,22+,23-,25-,26-,31?/m1/s1
InChI key： ADMAUFYPRRSBIF-UXABPWRKSA-N
SMILES： CO[C@@H]1O[C@H](COC2(O[C@H]3O[C@@H]([C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[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-ジピバロイル-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[(2,2-ジメチルプロパノイル)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[(2,2-dimethylpropanoyl)oxy]-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-dipivaloyl-α-D-glucopyranuronic acid methyl ester
Thsaurus map：
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