Account Galloylpaeoniflorin
- Catalog No. :
- ACSJHM067
- CAS No. :
- 122965-41-7
- Molecular Formula :
- C30H32O15
- Molecular Weight :
- 632.57
IUPAC Name:((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2S,3aR,5R,5aR)-1a1-((benzoyloxy)methyl)-5-hydroxy-2-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a(2H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate
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Product Information
| Product Name | Galloylpaeoniflorin |
|---|---|
| IUPAC Name | ((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2S,3aR,5R,5aR)-1a1-((benzoyloxy)methyl)-5-hydroxy-2-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a(2H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate |
| MDL No. | - |
| Molecular Formula | C30H32O15 |
| Molecular Weight | 632.57 |
| SMILES | O[C@H]([C@H]([C@@H]([C@@H](COC(C1=CC(O)=C(O)C(O)=C1)=O)O2)O)O)[C@@H]2O[C@@]3(C4)[C@@](C5)(C)O[C@]6([H])O[C@@]5(O)[C@@]4([H])[C@]36COC(C7=CC=CC=C7)=O |
| InChI Key | KLFIUQCKSSAFFU-QHOIGUMUSA-N |
| Synonym | galloylpaeoniflorin;[[(1aR)-5bβ-[(Benzoyloxy)methyl]-3aβ,5,5aβ,5b-tetrahydro-5β-hydroxy-2-methyl-2α,5α-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1aβ(2H)-yl]6-O-galloyl-β-D-glucopyranoside;6'-O-Galloyl paeoniflorin;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-(3,4,5-trihydroxybenzoate);Nuclear factor-kappaB,inhibit,Inhibitor,Galloylpaeoniflorin,NF-κB,Nuclear factor-κB;Galloylpaeoniflorin, 10 mM in DMSO |
| CAS No. | 122965-41-7 |
| PubChem CID | 494717 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACSJHM067 Molecular Building Block Synthetic Route
((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