1146967-98-7

Name Paeoniflorin sulfite
CAS 1146967-98-7
Molecular Formula C23H28O13S
MDL Number MFCD27664981
Molecular Weight 544.53
MOL File 1146967-98-7.mol
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Chemical Properties

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

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