| Identification | Back Directory | [Name]
Paeoniflorin sulfite | [CAS]
1146967-98-7 | [Synonyms]
Paeoniflorin sulfite
β-D-Glucopyranoside, (1aR,2S,3aR,5S,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-2-methyl-5-(sulfinooxy)-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl | [Molecular Formula]
C23H28O13S | [MDL Number]
MFCD27664981 | [MOL File]
1146967-98-7.mol | [Molecular Weight]
544.53 |
| Chemical Properties | Back Directory | [Boiling point ]
765.5±70.0 °C(Predicted) | [density ]
1.76±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
1.66±0.10(Predicted) | [color ]
White to off-white | [InChIKey]
VOLJTHZHUMLHDS-HEQFYZJVSA-N | [SMILES]
O([C@@]12C[C@@]3([H])[C@@]4(OS(O)=O)C[C@]1(C)O[C@@]([H])([C@@]23COC(=O)C1=CC=CC=C1)O4)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| Hazard Information | Back Directory | [Uses]
Paeoniflorin, a main component of Paeoniae Radix Alba, could be transformed into Paeoniflorin sulfite during sulfur-fumigation of Paeoniae Radix Alba[1]. | [References]
[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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