Chem
J-GLOBAL ID:200907016612691758   Nikkaji number:J1.818.718C

1-O,2-O-[(1R)-1-Cyanoethylidene]-3-O,6-O-bis(2-O,3-O,4-O,6-O-tetraacetyl-α-D-mannopyranosyl)-β-D-mannopyranose

1-O,2-O-[(1R)-1-シアノエチリデン]-3-O,6-O-ビス(2-O,3-O,4-O,6-O-テトラアセチル-α-D-マンノピラノシル)-β-D-マンノピラノース
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: C37H49NO24
Molecular formula furigana: C37-H49-N-O24
Molecular weight: 891.782
InChI: InChI=1S/C37H49NO24/c1-14(39)48-11-23-26(51-16(3)41)29(53-18(5)43)31(55-20(7)45)34(58-23)50-10-22-25(47)28(33-36(57-22)62-37(9,13-38)61-33)60-35-32(56-21(8)46)30(54-19(6)44)27(52-17(4)42)24(59-35)12-49-15(2)40/h22-36,47H,10-12H2,1-9H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35-,36+,37-/m1/s1
InChI key: UQAUDMJPWIHWQZ-DLEXKTKBSA-N
SMILES: CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H]3O[C@@](C)(O[C@H]3[C@@H](O[C@H]3O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]3OC(=O)C)[C@@H]2O)C#N)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • 1-O,2-O-[(1R)-1-シアノエチリデン]-3-O,6-O-ビス(2-O,3-O,4-O,6-O-テトラアセチル-α-D-マンノピラノシル)-β-D-マンノピラノース
  • [(2R,3R,4S,5S,6S)-6-{[(2R,3aS,5R,6R,7S,7aS)-2-シアノ-6-ヒドロキシ-2-メチル-7-{[(2R,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}-ヘキサヒドロ-[1,3]ジオキソロ[4,5-b]ピラン-5-イル]メトキシ}-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,5S,6S)-6-{[(2R,3aS,5R,6R,7S,7aS)-2-cyano-6-hydroxy-2-methyl-7-{[(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-yl]methoxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate
Other name (1):
  • 1-O,2-O-[(1R)-1-Cyanoethylidene]-3-O,6-O-bis(2-O,3-O,4-O,6-O-tetraacetyl-α-D-mannopyranosyl)-β-D-mannopyranose
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