Chem
J-GLOBAL ID:200907003315256444   Nikkaji number:J1.861.561D

4-Oxobutyl 3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

4-オキソブチル3-O-(2-O,3-O,4-O-トリアセチル-β-D-グルコピラヌロノシル)-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
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: C24H35NO16
Molecular formula furigana: C24-H35-N-O16
Molecular weight: 593.535
InChI: InChI=1S/C24H35NO16/c1-10(28)25-15-17(16(32)14(9-27)39-23(15)35-8-6-5-7-26)40-24-21(38-13(4)31)19(37-12(3)30)18(36-11(2)29)20(41-24)22(33)34/h7,14-21,23-24,27,32H,5-6,8-9H2,1-4H3,(H,25,28)(H,33,34)/t14-,15-,16-,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChI key: KMAUGOKZVMNXPS-ZCEWOAMBSA-N
SMILES: CC(=O)N[C@H]1[C@H](OCCCC=O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)C(=O)O
Systematic name  (3):
  • 4-オキソブチル3-O-(2-O,3-O,4-O-トリアセチル-β-D-グルコピラヌロノシル)-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • (2S,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-{[(2R,3R,4R,5S,6R)-3-アセトアミド-5-ヒドロキシ-6-(ヒドロキシメチル)-2-(4-オキソブトキシ)オキサン-4-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-(4-oxobutoxy)oxan-4-yl]oxy}oxane-2-carboxylic acid
Other name (1):
  • 4-Oxobutyl 3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
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