Chem
J-GLOBAL ID：200907083183076461   Nikkaji number：J1.977.152K

1-O,N-(2-Methylpropane-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-(2-メチルプロパン-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： C27H37NO16
Molecular formula furigana： C27-H37-N-O16
Molecular weight： 631.584
InChI： InChI=1S/C27H37NO16/c1-10(2)24-28-17-19(18(37-12(4)30)16(9-36-11(3)29)41-26(17)44-24)42-27-23(40-15(7)33)21(39-14(6)32)20(38-13(5)31)22(43-27)25(34)35-8/h10,16-23,26-27H,9H2,1-8H3/t16-,17-,18+,19-,20+,21+,22+,23-,26-,27-/m1/s1
InChI key： AVHFZVLLFCKSFW-ROVTXPTDSA-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)C(C)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 1-O,N-(2-メチルプロパン-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-(プロパン-2-イル)-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-(propan-2-yl)-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-(2-Methylpropane-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：
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