21516-68-7

Name MONASCIN
CAS 21516-68-7
Molecular Formula C21H26O5
MDL Number MFCD09260177
Molecular Weight 358.43
MOL File 21516-68-7.mol

Chemical Properties

Melting point  145 °C
Boiling point  574.6±50.0 °C(Predicted)
density  1.18±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Acetonitrile: Soluble
Chloroform: Soluble
form  Solid
pka 10.59±0.60(Predicted)
color  Light yellow to yellow
BRN  51355
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/s1
InChIKey XXKNHBAFFJINCK-RVEJDSBJSA-N
SMILES C1(/C=C/C)OCC2C(=O)[C@]3(C)OC(=O)[C@H](C(=O)CCCCC)[C@@]3([H])CC=2C=1

Safety Data

WGK Germany  2
Storage Class 11 - Combustible Solids

Hazard Information

Supplier