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185213-52-9

Name Scabertopin
CAS 185213-52-9
Molecular Formula C20H22O6
MDL Number MFCD22417325
Molecular Weight 358.39
MOL File 185213-52-9.mol
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Chemical Properties

Boiling point  592.7±50.0 °C(Predicted)
density  1.24±0.1 g/cm3(Predicted)
form  Solid
color  White to light yellow
InChI InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7+,11-5-/t14-,15+,16-,17-/m0/s1
InChIKey FTPHYXGWMIZVMP-RZYABJHASA-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\C |t:10|

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