79498-31-0

Name glaucocalyxin A
CAS 79498-31-0
Molecular Formula C20H28O4
MDL Number MFCD31560787
Molecular Weight 332.437
MOL File 79498-31-0.mol
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Chemical Properties

Melting point  219.5-220.5℃ (ethyl ether )
Boiling point  513.4±50.0 °C(Predicted)
density  1.22±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.  Store at -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  powder
pka 13.15±0.70(Predicted)
color  White
InChI InChI=1/C20H28O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h11-13,15,17,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,15+,17+,19-,20-/s3
InChIKey UCDVIBNDYLUWFP-WOOMQCEBNA-N
SMILES [C@@]123C(=O)C(=C)[C@H](CC[C@@]1([H])[C@]1(C)CCC(=O)C(C)(C)[C@@]1([H])C[C@H]2O)[C@H]3O |&1:0,5,8,10,19,22,24,r|

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