For research use only. Not for therapeutic Use.
Paeoniflorin, a main component of Paeoniae Radix Alba, could be transformed into Paeoniflorin sulfite during sulfur-fumigation of Paeoniae Radix Alba[1].
| CAS Number | 1146967-98-7 |
| Synonyms | [(1R,2S,3R,5R,6S,8S)-8-methyl-6-sulfinooxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate |
| Molecular Formula | C23H28O13S |
| Purity | ≥95% |
| InChI | InChI=1S/C23H28O13S/c1-20-9-22(36-37(29)30)13-7-23(20,33-18-16(27)15(26)14(25)12(8-24)32-18)21(13,19(34-20)35-22)10-31-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27H,7-10H2,1H3,(H,29,30)/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22+,23+/m1/s1 |
| InChIKey | VOLJTHZHUMLHDS-HEQFYZJVSA-N |
| SMILES | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)OS(=O)O |
| Reference | [1]. Ke Pei, et al. Ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry combined with statistical analysis for rapidly revealing the influence of sulfur-fumigated Paeoniae Radix Alba on the chemical constituents of Si Wu Tang. Analytical Methods. 2015. |
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