487-39-8

Name (+)-SYLVATESMIN
CAS 487-39-8
Molecular Formula C21H24O6
MDL Number MFCD01075148
Molecular Weight 372.41
MOL File 487-39-8.mol

Chemical Properties

Melting point  133℃
Boiling point  534.9±50.0 °C(Predicted)
density  1.225
storage temp.  Keep in dark place,Sealed in dry,2-8°C
solubility  DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:5): 0.16 mg/ml
form  A crystalline solid
pka 9.84±0.35(Predicted)
color  White to off-white
InChI InChI=1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m0/s1
InChIKey CPJKKWDCUOOTEW-YJPXFSGGSA-N
SMILES C1(O)=CC=C([C@@H]2[C@@]3([H])CO[C@@H](C4=CC=C(OC)C(OC)=C4)[C@@]3([H])CO2)C=C1OC
LogP 2.034 (est)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Environment (GHS09)
GHS06,GHS09
Signal word  Danger
Hazard statements  H310-H410
Precautionary statements  P501-P273-P270-P262-P264-P280-P391-P361+P364-P302+P352+P310-P405

Hazard Information

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