Chem
J-GLOBAL ID：200907070697082164   Nikkaji number：J2.110.145A

Methyl 2-O,3-O-isopropylidene-4-O-acetyl-6-[3-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)ureido]-6-deoxy-α-D-mannopyranoside

メチル2-O,3-O-イソプロピリデン-4-O-アセチル-6-[3-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)ウレイド]-6-デオキシ-α-D-マンノピラノシド
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： C27H40N2O16
Molecular formula furigana： C27-H40-N2-O16
Molecular weight： 648.615
InChI： InChI=1S/C27H40N2O16/c1-11(30)37-10-17-19(39-13(3)32)20(40-14(4)33)22(41-15(5)34)24(42-17)29-26(35)28-9-16-18(38-12(2)31)21-23(25(36-8)43-16)45-27(6,7)44-21/h16-25H,9-10H2,1-8H3,(H2,28,29,35)/t16-,17-,18-,19-,20+,21+,22-,23+,24-,25+/m1/s1
InChI key： ITVCJDAFQKKVLV-WUICYGLHSA-N
SMILES： CO[C@H]1O[C@H](CNC(=O)N[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(C)(C)O[C@H]12
Systematic name  (3)：
  • メチル2-O,3-O-イソプロピリデン-4-O-アセチル-6-[3-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル)ウレイド]-6-デオキシ-α-D-マンノピラノシド
  • [(2R,3R,4S,5R,6R)-6-[({[(3aS,4S,6R,7R,7aS)-7-(アセチルオキシ)-4-メトキシ-2,2-ジメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-6-イル]メチル}カルバモイル)アミノ]-3,4,5-トリス(アセチルオキシ)オキサン-2-イル]メチル アセタート
  • [(2R,3R,4S,5R,6R)-6-[({[(3aS,4S,6R,7R,7aS)-7-(acetyloxy)-4-methoxy-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl}carbamoyl)amino]-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate
Other name (1)：
  • Methyl 2-O,3-O-isopropylidene-4-O-acetyl-6-[3-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)ureido]-6-deoxy-α-D-mannopyranoside
Thsaurus map：
Thesaurus Map

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