Chem
J-GLOBAL ID:201107073996538856   Nikkaji number:J2.966.403J

1-O-(4-Methoxyphenyl)-N,3-O-carbonyl-4-O-(2-O,4-O-diacetyl-3,6-anhydro-6-oxo-β-D-glucopyranosyl)-6-O-benzyl-β-D-glucosamine

1-O-(4-メトキシフェニル)-N,3-O-カルボニル-4-O-(2-O,4-O-ジアセチル-3,6-アンヒドロ-6-オキソ-β-D-グルコピラノシル)-6-O-ベンジル-β-D-グルコサミン
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: C31H33NO14
Molecular formula furigana: C31-H33-N-O14
Molecular weight: 643.598
InChI: InChI=1S/C31H33NO14/c1-15(33)39-24-25-27(40-16(2)34)30(45-26(24)28(35)43-25)44-22-20(14-38-13-17-7-5-4-6-8-17)42-29(21-23(22)46-31(36)32-21)41-19-11-9-18(37-3)10-12-19/h4-12,20-27,29-30H,13-14H2,1-3H3,(H,32,36)/t20-,21-,22-,23-,24+,25+,26+,27-,29-,30-/m1/s1
InChI key: CDSZKFKQGNYPOP-STEZGOMISA-N
SMILES: COc1ccc(O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](O[C@@H]3O[C@H]4[C@@H](OC(=O)C)[C@H](OC4=O)[C@H]3OC(=O)C)[C@@H]3OC(=O)N[C@@H]23)cc1
Systematic name  (4):
  • 1-O-(4-メトキシフェニル)-N,3-O-カルボニル-4-O-(2-O,4-O-ジアセチル-3,6-アンヒドロ-6-オキソ-β-D-グルコピラノシル)-6-O-ベンジル-β-D-グルコサミン
  • 1-O-[1-O-(p-メトキシフェニル)-2,3-O-(イミノカルボニル)-6-O-ベンジル-2,4-ジデオキシ-β-D-グルコピラノース-4-イル]-2-O,4-O-ジアセチル-β-D-グルコピラヌロン酸ラクトン
  • (1S,3R,4R,5S,8S)-3-{[(3aR,4S,6R,7S,7aR)-6-[(ベンジルオキシ)メチル]-4-(4-メトキシフェノキシ)-2-オキソ-ヘキサヒドロ-2H-ピラノ[3,4-d][1,3]オキサゾール-7-イル]オキシ}-4-(アセチルオキシ)-7-オキソ-2,6-ジオキサビシクロ[3.2.1]オクタン-8-イル アセタート
  • (1S,3R,4R,5S,8S)-3-{[(3aR,4S,6R,7S,7aR)-6-[(benzyloxy)methyl]-4-(4-methoxyphenoxy)-2-oxo-hexahydro-2H-pyrano[3,4-d][1,3]oxazol-7-yl]oxy}-4-(acetyloxy)-7-oxo-2,6-dioxabicyclo[3.2.1]octan-8-yl acetate
Other name (2):
  • 1-O-(4-Methoxyphenyl)-N,3-O-carbonyl-4-O-(2-O,4-O-diacetyl-3,6-anhydro-6-oxo-β-D-glucopyranosyl)-6-O-benzyl-β-D-glucosamine
  • 1-O-[1-O-(p-Methoxyphenyl)-2,3-O-(iminocarbonyl)-6-O-benzyl-2,4-dideoxy-β-D-glucopyranose-4-yl]-2-O,4-O-diacetyl-β-D-glucopyranuronic acid lactone
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