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22338-67-6

Name grandiflorenic acid
CAS 22338-67-6
Molecular Formula C20H28O2
MDL Number MFCD22417331
Molecular Weight 300.44
MOL File 22338-67-6.mol
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Chemical Properties

Melting point  155-157 °C
Boiling point  447.5±44.0 °C(Predicted)
density  1.12±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 4.69±0.40(Predicted)
biological source plant
Water Solubility  water: slightly soluble
InChI InChI=1/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19-,20-/s3
InChIKey RJIPNPHMQGDUBW-XMTJKGTRNA-N
SMILES C[C@@]12CCC[C@@](C)(C(=O)O)[C@@]1([H])CC[C@]13CC(=C)[C@]([H])(CC=C21)C3 |&1:1,5,10,14,18,r|

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