Benzoylpaeoniflorin
Request a quote| Catalog Number | ACM38642498 |
| CAS | 38642-49-8 |
| Structure | ![{[CurrentData.Name]}](https://resource.alfa-chemistry.com/structure/38642-49-8.gif) |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[[(1R,2S,3R,5R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl benzoate |
| Synonyms | Paeoniflorin benzoyl impurity |
| Molecular Weight | 584.57 |
| Molecular Formula | C30H32O12 |
| Canonical 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)COC(=O)C7=CC=CC=C7)O)O)O)O |
| Inchi | InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | LATYEZNGPQKAIK-HRCYFWENSA-N |
| Melting Point | >90 °C (dec.) |
| Purity | 98% |
| Density | 1.56±0.1 g/ml |
| Appearance | White powder |
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