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114420-67-6

Name BRUSATOL
CAS 114420-67-6
Molecular Formula C26H32O11
MDL Number MFCD01746220
Molecular Weight 442.41
MOL File 114420-67-6.mol
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Chemical Properties

Boiling point  727.5±60.0 °C(Predicted)
density  1.46±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
form  Solid
pka 8.58±0.15(Predicted)
color  White to off-white
InChI InChI=1S/C20H26O11/c1-11(22)28-9-14(30-20-19(27)18(26)17(25)15(8-21)31-20)10-29-16(24)7-4-12-2-5-13(23)6-3-12/h2-7,14-15,17-21,23,25-27H,8-10H2,1H3
InChIKey YQKQOLPNKNHLBO-UHFFFAOYSA-N
SMILES O(C1C(C(O)C(O)C(CO)O1)O)C(COC(=O)C)COC(=O)C=CC1C=CC(O)=CC=1
CAS DataBase Reference 114420-67-6

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