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

Catalog No. :: ACSJCQ748
CAS No. :: 262350-52-7
Molecular Formula :: C31H34O14
Molecular Weight :: 630.60

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

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

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Product Information

Product Name	((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2R,3aR,5S,5aR)-1a1-((benzoyloxy)methyl)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate
IUPAC Name	((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2R,3aR,5S,5aR)-1a1-((benzoyloxy)methyl)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoate
MDL No.	MFCD32633536
Molecular Formula	C31H34O14
Molecular Weight	630.60
SMILES	COC1=C(O)C=CC(C(=O)OC[C@H]2O[C@@H](O[C@]34C[C@@H]5[C@@]3(COC(=O)C3=CC=CC=C3)[C@H]3O[C@]5(O)C[C@]4(C)O3)[C@H](O)[C@@H](O)[C@@H]2O)=C1
InChI Key	WQDKJKKWQBBKSZ-DYMNNOMASA-N
Synonym	Mudanpioside J;6'-O-Vanillylpaeoniflorin;β-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, 6-(4-hydroxy-3-methoxybenzoate)
CAS No.	262350-52-7

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ACSJCQ748262350-52-7

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ACSJCQ748262350-52-7

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

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Synthetic Route by SureRoute

1. ACSJCQ748 Molecular Building Block Synthetic Route

2. ACSJCQ748 Molecular Building Block Synthetic Route

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

Product Information

Synthetic Route by SureRoute

Galloylpaeoniflorin

((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((1aR,1a1S,2R,3aR,5S,5aR)-2-hydroxy-1a1-(hydroxymethyl)-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate

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

Mudanpioside H

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