Chem
J-GLOBAL ID：200907061604906198   Nikkaji number：J1.977.149K

1-O,N-(Ethane-1-yl-1-ylidene)-3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-α-D-galactosamine methyl ester

1-O,N-(エタン-1-イル-1-イリデン)-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)-4-O,6-O-ジアセチル-α-D-ガラクトサミンメチル
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： C25H33NO16
Molecular formula furigana： C25-H33-N-O16
Molecular weight： 603.530
InChI： InChI=1S/C25H33NO16/c1-9-26-16-18(17(36-11(3)28)15(8-34-10(2)27)40-24(16)35-9)41-25-22(39-14(6)31)20(38-13(5)30)19(37-12(4)29)21(42-25)23(32)33-7/h15-22,24-25H,8H2,1-7H3/t15-,16-,17+,18-,19+,20+,21+,22-,24+,25-/m1/s1
InChI key： KBDYYWVMOZAPHH-HASOJCOUSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@H]3N=C(C)O[C@H]3O[C@H](COC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 1-O,N-(エタン-1-イル-1-イリデン)-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)-4-O,6-O-ジアセチル-α-D-ガラクトサミンメチル
  • メチル (2S,3S,4S,5R,6R)-6-{[(3aR,5R,6R,7R,7aR)-6-(アセチルオキシ)-5-[(アセチルオキシ)メチル]-2-メチル-3aH,5H,6H,7H,7aH-ピラノ[3,2-d][1,3]オキサゾール-7-イル]オキシ}-3,4,5-トリス(アセチルオキシ)オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(3aR,5R,6R,7R,7aR)-6-(acetyloxy)-5-[(acetyloxy)methyl]-2-methyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]oxazol-7-yl]oxy}-3,4,5-tris(acetyloxy)oxane-2-carboxylate
Other name (1)：
  • 1-O,N-(Ethane-1-yl-1-ylidene)-3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-α-D-galactosamine methyl ester
Thsaurus map：
Thesaurus Map

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