Chem
J-GLOBAL ID:200907002174726925   Nikkaji number:J2.691.327F

N-Ethyl-2-O,3-O,5-O,6-O-tetraacetyl-4-O-[2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-α-D-glucopyranosyl]-D-gluconamide

N-エチル-2-O,3-O,5-O,6-O-テトラアセチル-4-O-[2-O,3-O,6-O-トリアセチル-4-O-(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)-α-D-グルコピラノシル]-D-グルコンアミド
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: C42H59NO27
Molecular formula furigana: C42-H59-N-O27
Molecular weight: 1009.914
InChI: InChI=1S/C42H59NO27/c1-13-43-40(55)37(64-25(10)52)34(61-22(7)49)32(28(59-20(5)47)14-56-17(2)44)69-42-39(66-27(12)54)36(63-24(9)51)33(30(68-42)16-58-19(4)46)70-41-38(65-26(11)53)35(62-23(8)50)31(60-21(6)48)29(67-41)15-57-18(3)45/h28-39,41-42H,13-16H2,1-12H3,(H,43,55)/t28-,29-,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,41+,42-/m1/s1
InChI key: VXTBXDJEQKUBOR-HQWWZQPGSA-N
SMILES: CCNC(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](O[C@H]1O[C@H](COC(=O)C)[C@@H](O[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]1OC(=O)C)[C@@H](COC(=O)C)OC(=O)C
Systematic name  (3):
  • N-エチル-2-O,3-O,5-O,6-O-テトラアセチル-4-O-[2-O,3-O,6-O-トリアセチル-4-O-(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)-α-D-グルコピラノシル]-D-グルコンアミド
  • (2R,3R,4S,5R)-1,4,5-トリス(アセチルオキシ)-3-{[(2R,3R,4S,5R,6R)-3,4-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-5-{[(2S,3R,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}オキサン-2-イル]オキシ}-5-(エチルカルバモイル)ペンタン-2-イル アセタート
  • (2R,3R,4S,5R)-1,4,5-tris(acetyloxy)-3-{[(2R,3R,4S,5R,6R)-3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-5-(ethylcarbamoyl)pentan-2-yl acetate
Other name (1):
  • N-Ethyl-2-O,3-O,5-O,6-O-tetraacetyl-4-O-[2-O,3-O,6-O-triacetyl-4-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl)-α-D-glucopyranosyl]-D-gluconamide
Thsaurus map:

Return to Previous Page