129280-33-7

Name SeMilicoisoflavone B
CAS 129280-33-7
Molecular Formula C20H16O6
MDL Number MFCD28100710
Molecular Weight 352.34
MOL File 129280-33-7.mol

Chemical Properties

Boiling point  615.5±55.0 °C(Predicted)
density  1.443±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 6.43±0.20(Predicted)
color  Light yellow to green yellow
biological source plant
Water Solubility  water: slightly soluble
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
InChIKey LWZACZCRAUQSLH-UHFFFAOYSA-N
SMILES [o]1c2c([c](c(c1)c3cc4c(c(c3)O)OC(C=C4)(C)C)=O)c(cc(c2)O)O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier