31685-80-0

Name pinusolide
CAS 31685-80-0
Molecular Formula C21H30O4
MDL Number MFCD20260814
Molecular Weight 346.46
MOL File 31685-80-0.mol
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Chemical Properties

Melting point  82-84 °C(Solv: ligroine (8032-32-4))
Boiling point  465.3±38.0 °C(Predicted)
density  1.10±0.1 g/cm3(Predicted)
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1
InChIKey WTKBZJAWPZXKJU-NLEAXPPASA-N
SMILES [C@]1(C)(C(OC)=O)[C@@]2([H])[C@@](C)([C@@H](CCC3=CCOC3=O)C(=C)CC2)CCC1
LogP 4.520 (est)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information

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