Chem
J-GLOBAL ID:200907050440032505   Nikkaji number:J2.565.734I

4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazole-3-yl 2-O,3-O,4-O,6-O-tetrapivaloyl-β-D-glucopyranoside

1-O-[4-(4-イソプロポキシベンジル)-5-メチルピラゾール-3-イル]-2,3,4,6-テトラ-O-(2,2-ジメチルプロパノイル)-β-D-グルコピラノシド
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: C40H60N2O11
Molecular formula furigana: C40-H60-N2-O11
Molecular weight: 744.923
InChI: InChI=1S/C40H60N2O11/c1-22(2)48-25-18-16-24(17-19-25)20-26-23(3)41-42-31(26)53-32-30(52-36(46)40(13,14)15)29(51-35(45)39(10,11)12)28(50-34(44)38(7,8)9)27(49-32)21-47-33(43)37(4,5)6/h16-19,22,27-30,32H,20-21H2,1-15H3,(H,41,42)/t27-,28-,29+,30-,32+/m1/s1
InChI key: VYHKGPWFGXWPOJ-BHDORVCOSA-N
SMILES: CC(C)Oc1ccc(Cc2c(C)[nH]nc2O[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]2OC(=O)C(C)(C)C)cc1
Systematic name  (4):
  • 4-(4-イソプロポキシベンジル)-5-メチル-1H-ピラゾール-3-イル2-O,3-O,4-O,6-O-テトラ(2,2-ジメチルプロパノイル)-β-D-グルコピラノシド
  • 4-(4-イソプロポキシベンジル)-5-メチル-1H-ピラゾール-3-イル2-O,3-O,4-O,6-O-テトラピバロイル-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6S)-3,4,5-トリス[(2,2-ジメチルプロパノイル)オキシ]-6-[(5-メチル-4-{[4-(プロパン-2-イルオキシ)フェニル]メチル}-1H-ピラゾール-3-イル)オキシ]オキサン-2-イル]メチル 2,2-ジメチルプロパノアート
  • [(2R,3R,4S,5R,6S)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-[(5-methyl-4-{[4-(propan-2-yloxy)phenyl]methyl}-1H-pyrazol-3-yl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate
Other name (3):
  • 4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazole-3-yl 2-O,3-O,4-O,6-O-tetra(2,2-dimethylpropanoyl)-β-D-glucopyranoside
  • 1-O-[4-(4-イソプロポキシベンジル)-5-メチルピラゾール-3-イル]-2,3,4,6-テトラ-O-(2,2-ジメチルプロパノイル)-β-D-グルコピラノシド
  • 4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazole-3-yl 2-O,3-O,4-O,6-O-tetrapivaloyl-β-D-glucopyranoside
Regulation number (1):
  • 8-(2)-2148
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