Chem
J-GLOBAL ID：200907091903274226   Nikkaji number：J1.977.148B

1-O,4-O,6-O-Triacetyl-2-(acryloylamino)-3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-2-deoxy-D-galactopyranose methyl ester

1-O,4-O,6-O-トリアセチル-2-(アクリロイルアミノ)-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-デオキシ-D-ガラクトピラノースメチル
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： C28H37NO18
Molecular formula furigana： C28-H37-N-O18
Molecular weight： 675.593
InChI： InChI=1S/C28H37NO18/c1-9-18(36)29-19-21(20(40-12(3)31)17(10-39-11(2)30)45-27(19)44-16(7)35)46-28-25(43-15(6)34)23(42-14(5)33)22(41-13(4)32)24(47-28)26(37)38-8/h9,17,19-25,27-28H,1,10H2,2-8H3,(H,29,36)/t17-,19-,20+,21-,22+,23+,24+,25-,27?,28-/m1/s1
InChI key： DPIXLBBETBIKSS-XXLLGUQASA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C=C)C(OC(=O)C)O[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,4-O,6-O-トリアセチル-2-(アクリロイルアミノ)-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-デオキシ-D-ガラクトピラノースメチル
  • メチル (2S,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-{[(3R,4R,5R,6R)-2,5-ビス(アセチルオキシ)-6-[(アセチルオキシ)メチル]-3-(プロパ-2-エンアミド)オキサン-4-イル]オキシ}オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-{[(3R,4R,5R,6R)-2,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-(prop-2-enamido)oxan-4-yl]oxy}oxane-2-carboxylate
Other name (1)：
  • 1-O,4-O,6-O-Triacetyl-2-(acryloylamino)-3-O-(2-O,3-O,4-O-triacetyl-β-D-glucopyranuronosyl)-2-deoxy-D-galactopyranose methyl ester
Thsaurus map：
Thesaurus Map

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