((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

Catalog No. :: ACRURA947
CAS No. :: 172760-03-1
Molecular Formula :: C30H32O13
Molecular Weight :: 600.57

IUPAC Name:((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

((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 structure diagram

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Product Name	((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
IUPAC Name	((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
MDL No.	-
Molecular Formula	C30H32O13
Molecular Weight	600.57
SMILES	C[C@@]12C[C@@]3(O)OC(O1)[C@]1(COC(=O)C4=CC=CC=C4)[C@H]3C[C@]21O[C@@H]1O[C@H](COC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O
InChI Key	HMSMTLNPCAHHGP-IPRVBXPUSA-N
Synonym	MudanpiosideC;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-hydroxybenzoate);((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-hydroxybenzoate;Mudanpioside C, 10 mM in DMSO;mudanpioside
CAS No.	172760-03-1
PubChem CID	21631098

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ACRURA947172760-03-1

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ACRURA947172760-03-1

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((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

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Synthetic Route by SureRoute

1. ACRURA947 Molecular Building Block Synthetic Route

2. ACRURA947 Molecular Building Block Synthetic Route

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((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

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Synthetic Route by SureRoute

Mudanpioside H

((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

Benzoylpaeoniflorin

Galloylpaeoniflorin

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