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29307-03-7

Name Deoxyelephantopin
CAS 29307-03-7
Molecular Formula C19H20O6
MDL Number MFCD01725517
Molecular Weight 344.36
MOL File 29307-03-7.mol
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Chemical Properties

Melting point  198-200 °C
Boiling point  584.3±50.0 °C(Predicted)
density  1.26±0.1 g/cm3(Predicted)
form  Solid
color  White to off-white
InChI InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14-,15+,16+/m1/s1
InChIKey JMUOPRSXUVOHFE-GZZMZBIISA-N
SMILES C(O[C@H]1CC2=C[C@@]([H])(CC(C)=C[C@@]3([H])OC(=O)C(=C)[C@@]31[H])OC2=O)(=O)C(C)=C |t:10|

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