Dimethyl (1S,4aS,7S,7aS)-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

Catalog No. :
ACRCNM063
CAS No. :
71035-06-8
Molecular Formula :
C18H24O12
Molecular Weight :
432.38

IUPAC Name:dimethyl (1S,4aS,7S,7aS)-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

Dimethyl (1S,4aS,7S,7aS)-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate structure diagram
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Product Information

Product NameDimethyl (1S,4aS,7S,7aS)-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
IUPAC Namedimethyl (1S,4aS,7S,7aS)-5-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
Molecular FormulaC18H24O12
Molecular Weight432.38
SMILESCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C(=O)OC
InChI KeyUSONHTFDCJKLKO-RWLPEWQHSA-N
Synonym(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5-oxocyclopenta[c]pyran-4,7α-dicarboxylic acid dimethyl ester;Griselinoside;Griseliside;Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-oxo-, 4,7-dimethyl ester, (1S,4aS,7S,7aS)-
CAS No.71035-06-8

Synthetic Route by SureRoute

1. ACRCNM063 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACRCNM063 route product structure diagram
    ACRCNM06371035-06-8
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2. ACRCNM063 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. ACRCNM063 route product structure diagram
    ACRCNM06371035-06-8
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