3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one
Bezeichnung:3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one
CAS-Nr775351-88-7
Englisch Name:3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one
CBNumberCB92589636
SummenformelC25H26O4
Molgewicht390.47
MOL-Datei775351-88-7.mol
3-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-7-hydroxy-4H-1-benzopyran-4-one physikalisch-chemischer Eigenschaften
Siedepunkt | 609.3±55.0 °C(Predicted) |
Dichte | 1.191 |
storage temp. | Store at -20°C |
Löslichkeit | DMF:30.0(Max Conc. mg/mL);76.83(Max Conc. mM) DMSO:30.0(Max Conc. mg/mL);76.83(Max Conc. mM) Ethanol:25.0(Max Conc. mg/mL);64.02(Max Conc. mM) |
pka | 6.92±0.20(Predicted) |
Aggregatzustand | powder |
Farbe | Yellowish |
InChI | InChI=1S/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7+ |
InChIKey | ZBHUUXLHDOUMKM-REZTVBANSA-N |
SMILES | C1OC2=CC(O)=CC=C2C(=O)C=1C1=CC=C(O)C(C/C=C(\C)/CC/C=C(/C)\C)=C1 |