Chemical Compound

J1.990.565I

J1.990.565I chemical structure
Primary Record

J1.990.565I

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177398405
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OC(=O)C)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)COC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)COC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C7=CC=CC=C7
Canonical SMILES
COC(=O)[C@@]1(OC[C@H]2O[C@@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](O[C@H]5[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H]5COC(C)=O)[C@@H]4OC(C)=O)O[C@H](COC(C)=O)[C@H]3OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H]2OC(=O)c2ccccc2)C[C@H](OC(C)=O)[C@@H](NC(=O)COC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

Names & Synonyms

  • J1.990.565I
  • 4-O-[3-O-[3-O-[6-O-[4-O,7-O,8-O,9-O-Tetraacetyl-N-(acetoxyacetyl)-1 -O-methyl-alpha-neuraminosyl]-3-O-acetyl-2-O,4-O-dibenzoyl-beta-D-galactopyranosyl]-2-(acetylamino)-4-O,6-O-diacetyl-2-deoxy-beta-D-glucopyranosyl]-2-O,4-O,6-O-triacetyl-beta-D-galactopyranosyl]-2-O,3-O,6-O-triacetyl-alpha-D-glucopyranose trichloroacetimidate
  • methyl (2R,4S,5R,6R)-4-(acetyloxy)-2-{[(2R,3S,4S,5R,6R)-4-(acetyloxy)-6-{[(2R,3S,4R,5R,6S)-3-(acetyloxy)-2-[(acetyloxy)methyl]-6-{[(2R,3S,4S,5R,6S)-3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-{[(2R,3R,4S,5R,6R)-4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamidooxan-4-yl]oxy}-3,5-bis(benzoyloxy)oxan-2-yl]methoxy}-5-[2-(acetyloxy)acetamido]-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate