(1R,3R,4S,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate

Catalog No. :
ACZZHC594
CAS No. :
409361-64-4
Molecular Formula :
C20H26O9
Molecular Weight :
410.42

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

(1R,3R,4S,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate structure diagram
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Product Information

Product Name(1R,3R,4S,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate
IUPAC Namebutyl (1R,3R,4S,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylate
Molecular FormulaC20H26O9
Molecular Weight410.42
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)OCCCC
InChI KeyVNLREARKISTOAD-WHRXQRCBSA-N
SynonymButyl neochlorogenate;Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, butyl ester, (1R,3R,4S,5R)-
CAS No.409361-64-4

Synthetic Route by SureRoute

1. ACZZHC594 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACZZHC594 route product structure diagram
    ACZZHC594409361-64-4
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2. ACZZHC594 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACJCBT486 route compound structure diagram
    ACJCBT486906-33-2 In Stock
  4. Then
  5. ACZZHC594 route product structure diagram
    ACZZHC594409361-64-4
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