Account ((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
- Catalog No. :
- ACWOFS986
- CAS No. :
- 262350-51-6
- Molecular Formula :
- C23H28O14
- Molecular Weight :
- 528.46
IUPAC Name:((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)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((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 |
|---|---|
| IUPAC Name | ((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 |
| MDL No. | MFCD32645019 |
| Molecular Formula | C23H28O14 |
| Molecular Weight | 528.46 |
| SMILES | C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(CO)[C@H]3C[C@@]12O[C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | VUMDOEIOARUSRC-PUFBVGNSSA-N |
| Synonym | Debenzoylgalloylpaeoniflorin;β-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-(hydroxymethyl)-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, 6-(3,4,5-trihydroxybenzoate) (9CI);6'-O-Galloyldesbenzoylpaeoniflorin |
| CAS No. | 262350-51-6 |
Synthetic Route by SureRoute
2. ACWOFS986 Molecular Building Block Synthetic Route
Galloylpaeoniflorin
((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