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(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid

Catalog No. :
ACDEFY332
CAS No. :
1204819-92-0
Molecular Formula :
C31H33NO13
Molecular Weight :
627.60

IUPAC Name:(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid

(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid structure diagram
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Product Information

Product Name(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
IUPAC Name(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-(((1S,3R,4aS,9S,9aR,10aS)-9-methoxy-1-methyloctahydro-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl)oxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
Molecular FormulaC31H33NO13
Molecular Weight627.60
SMILESCOC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(=O)O)C[C@@H]3O[C@H]3C[C@H]4[C@H](O[C@@H]5[C@@H](OC)OCCN54)[C@H](C)O3)C(O)=C1C2=O
InChI KeyQRJDFOACHALIRS-LURYFDOKSA-N
SynonymPNU-159682 carboxylic acid;2-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-4-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-6,11-dioxo-, (2S,4S)-
CAS No.1204819-92-0

Synthetic Route by SureRoute

1. ACDEFY332 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACQVKH312 route compound structure diagram
    ACQVKH3121184-54-9 In Stock
  2. Plus
  3. ACYUQH734 route compound structure diagram
    ACYUQH734202350-68-3 In Stock
  4. Plus
  5. ACAWBD401 route compound structure diagram
    ACAWBD4017774-34-7 In Stock
  6. Then
  7. ACDEFY332 route product structure diagram
    ACDEFY3321204819-92-0
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2. ACDEFY332 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDEFY332 route product structure diagram
    ACDEFY3321204819-92-0
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