((2R,3S,4S,5R,6S)-6-(((2S,3S,4S,5R,6S)-3-acetoxy-6-((5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate

Catalog No. :
ACJWAL162
CAS No. :
106441-31-0
Molecular Formula :
C37H44O17
Molecular Weight :
760.74

IUPAC Name:((2R,3S,4S,5R,6S)-6-(((2S,3S,4S,5R,6S)-3-acetoxy-6-((5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate

((2R,3S,4S,5R,6S)-6-(((2S,3S,4S,5R,6S)-3-acetoxy-6-((5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate structure diagram
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Product Information

Product Name((2R,3S,4S,5R,6S)-6-(((2S,3S,4S,5R,6S)-3-acetoxy-6-((5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
IUPAC Name((2R,3S,4S,5R,6S)-6-(((2S,3S,4S,5R,6S)-3-acetoxy-6-((5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl)oxy)-5-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
Molecular FormulaC37H44O17
Molecular Weight760.74
SMILESCOC1=CC=C(C2=C(O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)C(=O)C3=C(O)C=C(O)C(CC=C(C)C)=C3O2)C=C1
InChI KeyZRGOVKQDBSFQIU-RDYCXQFPSA-N
SynonymEPIMEDIOSIDE;4H-1-Benzopyran-4-one, 3-[[4-O-acetyl-3-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
CAS No.106441-31-0
PubChem CID10327790

Synthetic Route by SureRoute

1. ACJWAL162 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACJWAL162 route product structure diagram
    ACJWAL162106441-31-0
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2. ACJWAL162 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACJWAL162 route product structure diagram
    ACJWAL162106441-31-0
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