(1S,3R,4R,5R)-1,3-Dihydroxy-4,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid

Catalog No. :
ACHMJJ546
CAS No. :
86687-37-8
Molecular Formula :
C21H20O14
Molecular Weight :
496.38

IUPAC Name:(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid

(1S,3R,4R,5R)-1,3-Dihydroxy-4,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid structure diagram
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Product Information

Product Name(1S,3R,4R,5R)-1,3-Dihydroxy-4,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid
IUPAC Name(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid
Molecular FormulaC21H20O14
Molecular Weight496.38
SMILESO=C([C@]1(O)C[C@@H](O)[C@@H](OC(C2=CC(O)=C(O)C(O)=C2)=O)[C@H](OC(C3=CC(O)=C(O)C(O)=C3)=O)C1)O
InChI KeySKUCQDOSGKINGP-YQMRLJPGSA-N
Synonym3,4-di-O-galloylquinic acid;3,4-DI-ORTHO-GALLOYLQUINICACID;Benzoic acid, 3,4,5-trihydroxy-, 1,1'-[(1R,2R,3R,5S)-5-carboxy-3,5-dihydroxy-1,2-cyclohexanediyl] ester
CAS No.86687-37-8

Synthetic Route by SureRoute

1. ACHMJJ546 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACHMJJ546 route product structure diagram
    ACHMJJ54686687-37-8
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2. ACHMJJ546 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACHMJJ546 route product structure diagram
    ACHMJJ54686687-37-8
Inquiry

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