62949-76-2

Name xanthoangelol
CAS 62949-76-2
Molecular Formula C25H28O4
MDL Number MFCD17167046
Molecular Weight 392.49
MOL File 62949-76-2.mol

Chemical Properties

Melting point  141-143 °C
Boiling point  605.8±55.0 °C(Predicted)
density  1.165±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
form  Solid
pka 7.57±0.50(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C25H28O4/c1-17(2)5-4-6-18(3)7-13-21-24(28)16-14-22(25(21)29)23(27)15-10-19-8-11-20(26)12-9-19/h5,7-12,14-16,26,28-29H,4,6,13H2,1-3H3/b15-10+,18-7+
InChIKey LRSMBOSQWGHYCW-MDGZPELGSA-N
SMILES C(C1=CC=C(O)C(C/C=C(\C)/CC/C=C(/C)\C)=C1O)(=O)/C=C/C1=CC=C(O)C=C1
LogP 7.240 (est)

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