(7-(acetoxymethyl)-4a,6,7-trihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate

Catalog No. :
ACGQTT405
CAS No. :
862255-64-9
Molecular Formula :
C27H42O12
Molecular Weight :
558.62

IUPAC Name:(7-(acetoxymethyl)-4a,6,7-trihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate

(7-(acetoxymethyl)-4a,6,7-trihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate structure diagram
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Product Information

Product Name(7-(acetoxymethyl)-4a,6,7-trihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate
IUPAC Name(7-(acetoxymethyl)-4a,6,7-trihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate
MDL No.MFCD32645010
Molecular FormulaC27H42O12
Molecular Weight558.62
SMILESCC(=O)OCC1(O)C(O)CC2(O)C(COC(=O)C(OC(=O)CC(C)C)C(C)C)=COC(OC(=O)CC(C)C)C21
InChI KeyLUDMVJVLHCEECS-UHFFFAOYSA-N
SynonymValeriotriate B;[(1S,4aR,6S,7S,7aS)-7-(acetyloxymethyl)-4a,6,7-trihydroxy-1-(3-methylbutanoyloxy)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate;Butanoic acid, 3-methyl-2-(3-methyl-1-oxobutoxy)-, [(1S,4aR,6S,7S,7aS)-7-[(acetyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-4a,6,7-trihydroxy-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester
CAS No.862255-64-9

Synthetic Route by SureRoute

1. ACGQTT405 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGQTT405 route product structure diagram
    ACGQTT405862255-64-9
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2. ACGQTT405 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. ACGQTT405 route product structure diagram
    ACGQTT405862255-64-9
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