72581-71-6

Name Isosilybin
CAS 72581-71-6
Molecular Formula C25H22O10
MDL Number MFCD01075144
Molecular Weight 482.44
MOL File 72581-71-6.mol

Chemical Properties

Boiling point  793.0±60.0 °C(Predicted)
density  1.527±0.06 g/cm3(Predicted)
storage temp.  Store at -20° C
solubility  DMF: 20 mg/ml; DMF:PBS (pH 7.2) (1:9): 0.5 mg/ml; DMSO: 10 mg/ml; Ethanol: 0.1 mg/ml
form  Solid
pka 7.39±0.60(Predicted)
color  White-light yellow
InChI 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
InChIKey FDQAOULAVFHKBX-UHFFFAOYSA-N
SMILES O1C(C(Oc3c1cc(cc3)C4Oc5c(c(cc(c5)O)O)C(=O)C4O)c2cc(c(cc2)O)OC)CO

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312+P330-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Questions And Answer

Spectrum Detail

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