ChemicalBook--->CAS DataBase List--->1146967-98-7

1146967-98-7

1146967-98-7 Structure

1146967-98-7 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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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