(+)-Praeruptorin A Structure

(+)-Praeruptorin A

Chemical Properties

Melting point 136-137 °C(Solv: ethanol (64-17-5))
Boiling point 486.8±45.0 °C(Predicted)
Density  1.28±0.1 g/cm3(Predicted)
storage temp.  4°C, protect from light
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
color  White to off-white
InChI InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m0/s1
InChIKey XGPBRZDOJDLKOT-NXIDYTHLSA-N
SMILES C(O[C@@H]1C(C)(C)OC2=CC=C3C=CC(=O)OC3=C2[C@@H]1OC(C)=O)(=O)/C(/C)=C\C

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319-H317
Precautionary statements P261-P264-P272-P280-P302+P352-P305+P351+P338-P333+P313-P321-P337+P313-P363-P501
NFPA 704:
0
2 0

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