Mulberrin
Bezeichnung:Mulberrin
CAS-Nr62949-79-5
Englisch Name:Mulberrin
CBNumberCB71421795
SummenformelC25H26O6
Molgewicht422.47
MOL-Datei62949-79-5.mol
Mulberrin physikalisch-chemischer Eigenschaften
Schmelzpunkt | 153-156 °C |
Siedepunkt | 657.7±55.0 °C(Predicted) |
Dichte | 1.290±0.06 g/cm3(Predicted) |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
Löslichkeit | DMSO : 100 mg/mL (236.70 mM; Need ultrasonic) |
Aggregatzustand | powder |
pka | 6.70±0.40(Predicted) |
Farbe | Yellow |
InChI | InChI=1S/C25H26O6/c1-13(2)5-8-17-20(28)12-21(29)22-23(30)18(9-6-14(3)4)24(31-25(17)22)16-10-7-15(26)11-19(16)27/h5-7,10-12,26-29H,8-9H2,1-4H3 |
InChIKey | UWQYBLOHTQWSQD-UHFFFAOYSA-N |
SMILES | C1(C2=CC=C(O)C=C2O)OC2=C(C/C=C(/C)\C)C(O)=CC(O)=C2C(=O)C=1C/C=C(/C)\C |