(S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one

Catalog No. :
ACRXHS460
CAS No. :
189344-54-5
Molecular Formula :
C19H28O9
Molecular Weight :
400.42

IUPAC Name:(S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one

(S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one structure diagram
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Product Information

Product Name(S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
IUPAC Name(S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)but-1-en-1-yl)cyclohex-2-en-1-one
Molecular FormulaC19H28O9
Molecular Weight400.42
SMILESCC1=CC(CC(C)([C@]1(/C=C/C(CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)=O)O)C)=O
InChI KeyFUXBESIRIBMOMU-BOKWDPDESA-N
Synonym2-Cyclohexen-1-one, 4-[(1E)-4-(β-D-glucopyranosyloxy)-3-oxo-1-buten-1-yl]-4-hydroxy-3,5,5-trimethyl-, (4S)-
CAS No.189344-54-5

Synthetic Route by SureRoute

1. ACRXHS460 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACRXHS460 route product structure diagram
    ACRXHS460189344-54-5
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2. ACRXHS460 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. ACRXHS460 route product structure diagram
    ACRXHS460189344-54-5
Inquiry

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