Vitisin A

Catalog No. :
ACBYDP244
CAS No. :
142449-89-6
Molecular Formula :
C56H42O12
Molecular Weight :
906.94

IUPAC Name:(1S,6R,7S,11bS)-6-(5-((E)-2-((2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl)vinyl)-2-hydroxyphenyl)-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol

Vitisin A structure diagram
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Product Information

Product NameVitisin A
IUPAC Name(1S,6R,7S,11bS)-6-(5-((E)-2-((2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-4-yl)vinyl)-2-hydroxyphenyl)-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol
Molecular FormulaC56H42O12
Molecular Weight906.94
SMILESOC1=CC2=C3[C@]([C@@H](C4=CC=C(C=C4)O)OC3=C1)([H])C5=CC(O)=CC(O)=C5[C@H](C6=CC=C(C=C6)O)[C@H]2C7=CC(/C=C/C8=C9[C@H](C%10=CC(O)=CC(O)=C%10)[C@@H](C%11=CC=C(C=C%11)O)OC9=CC(O)=C8)=CC=C7O
InChI KeyXAXVWWYPKOGXSY-DBHYGPPCSA-N
Synonymvitisin A;(+)-Vitisin A;(+)-Vitisin A DISCONTINUED;Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[5-[(1E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2-hydroxyphenyl]-1,6,7,11b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1S,6R,7S,11bS)-;r2-viniferin
CAS No.142449-89-6

Synthetic Route by SureRoute

1. ACBYDP244 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACBYDP244 route product structure diagram
    ACBYDP244142449-89-6
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2. ACBYDP244 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. ACBYDP244 route product structure diagram
    ACBYDP244142449-89-6
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