Chem
J-GLOBAL ID：200907093147086863   Nikkaji number：J1.977.146F

1-O,4-O,6-O-Triacetyl-2-(isobutyrylamino)-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-(イソブチリルアミノ)-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： C29H41NO18
Molecular formula furigana： C29-H41-N-O18
Molecular weight： 691.636
InChI： InChI=1S/C29H41NO18/c1-11(2)26(37)30-19-21(20(41-13(4)32)18(10-40-12(3)31)46-28(19)45-17(8)36)47-29-25(44-16(7)35)23(43-15(6)34)22(42-14(5)33)24(48-29)27(38)39-9/h11,18-25,28-29H,10H2,1-9H3,(H,30,37)/t18-,19-,20+,21-,22+,23+,24+,25-,28?,29-/m1/s1
InChI key： VKASGBRNYYWIGS-ZQBDOCINSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C(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-(イソブチリルアミノ)-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-(2-メチルプロパンアミド)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-(2-methylpropanamido)oxan-4-yl]oxy}oxane-2-carboxylate
Other name (1)：
  • 1-O,4-O,6-O-Triacetyl-2-(isobutyrylamino)-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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