Account (3R,4R)-9-((Benzoyloxy)methyl)-6-methyl-8-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-oxatricyclo[4.3.0.03,9]nonan-4-yl 3,4,5-trihydroxybenzoate
- Catalog No. :
- ACRCTQ716
- CAS No. :
- 1201580-97-3
- Molecular Formula :
- C30H32O15
- Molecular Weight :
- 632.57
IUPAC Name:4-O-Galloylalbiflorin
![(3R,4R)-9-((Benzoyloxy)methyl)-6-methyl-8-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-oxatricyclo[4.3.0.03,9]nonan-4-yl 3,4,5-trihydroxybenzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,4R)-9-((Benzoyloxy)methyl)-6-methyl-8-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-oxatricyclo[4.3.0.03,9]nonan-4-yl 3,4,5-trihydroxybenzoate |
|---|---|
| IUPAC Name | 4-O-Galloylalbiflorin |
| Molecular Formula | C30H32O15 |
| Molecular Weight | 632.57 |
| SMILES | O[C@H]1[C@H](OC23C4(COC(C5=CC=CC=C5)=O)C(OC2(C)C[C@@H](OC(C6=CC(O)=C(O)C(O)=C6)=O)[C@@]([H])4C3)=O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| InChI Key | UXHIYEMICNYJGK-NJVRKBDPSA-N |
| Synonym | Benzoic acid, 3,4,5-trihydroxy-, (1R,3R,4R,6S,9S)-9-[(benzoyloxy)methyl]-1-(β-D-glucopyranosyloxy)-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]non-4-yl ester;4-O-galloylalbiflorin;(3R,4R)-9-((Benzoyloxy)methyl)-6-methyl-8-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-7-oxatricyclo[4.3.0.03,9]nonan-4-yl 3,4,5-trihydroxybenzoate |
| CAS No. | 1201580-97-3 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACRCTQ716 Molecular Building Block Synthetic Route
((2R,3S,4S,5R,6S)-6-(((1R,3R,4R,6S,9S)-9-((benzoyloxy)methyl)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate
(1-((6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl)methyl benzoate
Galloylpaeoniflorin