(1S,3R,4R,5R)-3-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Catalog No. :
ACJIRF639
CAS No. :
202650-88-2
Molecular Formula :
C16H18O9
Molecular Weight :
354.31

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

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

Product Name(1S,3R,4R,5R)-3-(((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
IUPAC Name(1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular FormulaC16H18O9
Molecular Weight354.31
SMILESO=C([C@@]1(O)C[C@@H](OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@H](O)[C@H](O)C1)O
InChI KeyCWVRJTMFETXNAD-JUHZACGLSA-N
Synonym(1S)-1β,3β,4β-Trihydroxy-5α-[(E)-3-(3,4-dihydroxyphenyl)acryloyloxy]cyclohexane-1-carboxylic acid;(1S)-5α-[[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1β,3β,4β-trihydroxycyclohexanecarboxylic acid;(E)-3-(3,4-Dihydroxyphenyl)acrylic acid [(1R)-2α,3α,5-trihydroxy-5β-carboxycyclohexane-1β-yl] ester;1,4α,5α-Trihydroxy-3β-(3,4-dihydroxy-trans-cinnamoyloxy)cyclohexane-1β-carboxylic acid;1,4α,5α-Trihydroxy-3β-[(E)-3-(3,4-dihydroxyphenyl)propenoyloxy]cyclohexane-1β-carboxylic acid;Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-;(-)-5-Caffeoyl quinic acid;trans-Chlorogenic acid
CAS No.202650-88-2

Synthetic Route by SureRoute

1. ACJIRF639 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACPGNO703 route compound structure diagram
    ACPGNO70312738-64-6 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Plus
  5. reactant_3 route compound structure diagram
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  6. Then
  7. ACJIRF639 route product structure diagram
    ACJIRF639202650-88-2
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2. ACJIRF639 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACJIRF639 route product structure diagram
    ACJIRF639202650-88-2
Inquiry

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