Products 1390658-79-3
CAS 1390658-79-3 is the registry number for Paeoniflorin-6′-O-benzene sulfonate. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzenesulfonyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate (CAS 1390658-79-3) is a chemical compound with the molecular formula C29H32O13S and a molecular weight of 620.6 g/mol. IUPAC name: [(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzenesulfonyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate. InChIKey: GWADTSPXFRXHLU-DMXKJYKPSA-N.
| Molecular formula | C29H32O13S |
|---|---|
| Molecular weight | 620.6 g/mol |
| IUPAC name | [(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzenesulfonyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate |
| InChIKey | GWADTSPXFRXHLU-DMXKJYKPSA-N |
| SMILES | C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COS(=O)(=O)C7=CC=CC=C7)O)O)O)O |
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