methyl (1S,4aS,6R,7S,7aS)-6-(((2S,3R,4R)-4-((E)-4-((2S,3R,4S)-5-((((1S,4aS,6S,7R,7aS)-4-(methoxycarbonyl)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl)oxy)carbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)-1-oxobut-2-en-2-yl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Catalog No. :
ACWCNY252
CAS No. :
889678-62-0
Molecular Formula :
C66H90O37
Molecular Weight :
1475.41

IUPAC Name:methyl (1S,4aS,6R,7S,7aS)-6-(((2S,3R,4R)-4-((E)-4-((2S,3R,4S)-5-((((1S,4aS,6S,7R,7aS)-4-(methoxycarbonyl)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl)oxy)carbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)-1-oxobut-2-en-2-yl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

methyl (1S,4aS,6R,7S,7aS)-6-(((2S,3R,4R)-4-((E)-4-((2S,3R,4S)-5-((((1S,4aS,6S,7R,7aS)-4-(methoxycarbonyl)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl)oxy)carbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)-1-oxobut-2-en-2-yl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate structure diagram
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Product Information

Product Namemethyl (1S,4aS,6R,7S,7aS)-6-(((2S,3R,4R)-4-((E)-4-((2S,3R,4S)-5-((((1S,4aS,6S,7R,7aS)-4-(methoxycarbonyl)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl)oxy)carbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)-1-oxobut-2-en-2-yl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Namemethyl (1S,4aS,6R,7S,7aS)-6-(((2S,3R,4R)-4-((E)-4-((2S,3R,4S)-5-((((1S,4aS,6S,7R,7aS)-4-(methoxycarbonyl)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl)oxy)carbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)-1-oxobut-2-en-2-yl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carbonyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
MDL No.-
Molecular FormulaC66H90O37
Molecular Weight1475.41
SMILESC=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@H]2C)[C@H]1C/C=C(/C=O)[C@@H]1C(C(=O)O[C@@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@H]2C)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C=C
InChI KeyJGFCDHIJCNLFPY-OWONSMEPSA-N
SynonymDipsanoside A;Cyclopenta[c]pyran-4-carboxylic acid, 6-[[[(2S,3R,4R)-3-ethenyl-4-[(1E)-3-[(2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-5-[[[(1S,4aS,6S,7R,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4-(methoxycarbonyl)-7-methylcyclopenta[c]pyran-6-yl]oxy]carbonyl]-3,4-dihydro-2H-pyran-4-yl]-1-formyl-1-...
CAS No.889678-62-0

Synthetic Route by SureRoute

1. ACWCNY252 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWCNY252 route product structure diagram
    ACWCNY252889678-62-0
Inquiry

2. ACWCNY252 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWCNY252 route product structure diagram
    ACWCNY252889678-62-0
Inquiry

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