Chem
J-GLOBAL ID：200907019355766058   Nikkaji number：J1.977.153I

1-O,N-(Phenylmethylidyne)-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-(フェニルメチリジン)-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： C30H35NO16
Molecular formula furigana： C30-H35-N-O16
Molecular weight： 665.601
InChI： InChI=1S/C30H35NO16/c1-13(32)39-12-19-21(40-14(2)33)22(20-29(44-19)47-27(31-20)18-10-8-7-9-11-18)45-30-26(43-17(5)36)24(42-16(4)35)23(41-15(3)34)25(46-30)28(37)38-6/h7-11,19-26,29-30H,12H2,1-6H3/t19-,20-,21+,22-,23+,24+,25+,26-,29-,30-/m1/s1
InChI key： ICHVQMGTJVJNHJ-NYBGOGBKSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@H]3N=C(O[C@H]3O[C@H](COC(=O)C)[C@@H]2OC(=O)C)c2ccccc2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 1-O,N-(フェニルメチリジン)-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-フェニル-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-phenyl-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-(Phenylmethylidyne)-3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-4-O,6-O-diacetyl-α-D-galactosamine methyl ester
Thsaurus map：
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