(1S,3R,4S,5R)-3-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

Catalog No. :
ACBDUU477
CAS No. :
534-61-2
Molecular Formula :
C16H18O9
Molecular Weight :
354.31

IUPAC Name:(1S,3R,4S,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid

(1S,3R,4S,5R)-3-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid structure diagram
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Product Information

Product Name(1S,3R,4S,5R)-3-((3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid
IUPAC Name(1S,3R,4S,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular FormulaC16H18O9
Molecular Weight354.31
SMILESO=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O
InChI KeyCWVRJTMFETXNAD-BMNNCGMMSA-N
Synonym[1S-(1alpha,3beta,4beta,5alpha)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid;Isochlorogenic;(1S)-3β-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1α,4β,5α-trihydroxycyclohexane-1β-carboxylic acid;ISOCHLOROGENIC ACID A(RG);Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4S,5R)-;Isochlorogenicaci;1S-(1?,3?,4?,5?)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid;1S-(1alpha,3beta,4beta,5alpha)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
CAS No.534-61-2

Synthetic Route by SureRoute

1. ACBDUU477 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACBDUU477 route product structure diagram
    ACBDUU477534-61-2
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2. ACBDUU477 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACBDUU477 route product structure diagram
    ACBDUU477534-61-2
Inquiry

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