quassin

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InChI :InChI=1/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
Std.InChI: InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1
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InChIKey :IOSXSVZRTUWBHC-LBTVDEKVBB
Std.InChIKey: IOSXSVZRTUWBHC-LBTVDEKVSA-N
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SMILES :C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC
MDL: MFCD00273126
Molar Refractivity :100.35 ± 0.4 cm3 (est)
Parachor :816.2 ± 6.0 cm3 (est)
Index of Refraction :1.552 ± 0.03 (est)
Surface Tension :45.7 ± 5.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :39.78 ± 0.5 10-24cm3 (est)