((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate

Catalog No. :
ACFDHS651
CAS No. :
72896-40-3
Molecular Formula :
C30H32O13
Molecular Weight :
600.57

IUPAC Name:((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate

((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate structure diagram
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Product Information

Product Name((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate
IUPAC Name((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl 4-hydroxybenzoate
MDL No.-
Molecular FormulaC30H32O13
Molecular Weight600.57
SMILESC[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)C4=CC=C(O)C=C4)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O
InChI KeyVIWQCBZFJFSCLC-HRCYFWENSA-N
Synonymbenzoyloxypaeoniflorin;[[(1aR)-5bβ-[(4-Benzoyloxybenzoyloxy)methyl]-3aβ,5,5aβ,5b-tetrahydro-5β-hydroxy-2-methyl-2α,5α-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1aβ(2H)-yl]β-D-glucopyranoside;Benzoyloxypaeoniflori, oxybenzoyl-paeoniflorin;Benzoyloxypeoniflorin;Benzoyloxypaeoniflorin, 10 mM in DMSO
CAS No.72896-40-3
PubChem CID21631107

Synthetic Route by SureRoute

1. ACFDHS651 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACONBM672 route compound structure diagram
    ACONBM672114-63-6 In Stock
  4. Then
  5. ACFDHS651 route product structure diagram
    ACFDHS65172896-40-3
Inquiry

2. ACFDHS651 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACFDHS651 route product structure diagram
    ACFDHS65172896-40-3
Inquiry

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