edulone A
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InChI :InChI=1/C22H22O8/c1-8(7-29-10(3)23)12-16(24)14-15-13-11(9(2)21(28)30-19(12)13)5-6-22(15,4)20(27)18(26)17(14)25/h8,24-26H,5-7H2,1-4H3
Std.InChI: InChI=1S/C22H22O8/c1-8(7-29-10(3)23)12-16(24)14-15-13-11(9(2)21(28)30-19(12)13)5-6-22(15,4)20(27)18(26)17(14)25/h8,24-26H,5-7H2,1-4H3
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InChIKey :UZAVODXFCPDLPG-UHFFFAOYAQ
Std.InChIKey: UZAVODXFCPDLPG-UHFFFAOYSA-N
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SMILES :CC1=C2CCC3(C4=C2C(=C(C(=C4C(=C(C3=O)O)O)O)C(C)COC(=O)C)OC1=O)C
Molar Refractivity :102.00 ± 0.4 cm3 (est)
Parachor :809.0 ± 6.0 cm3 (est)
Index of Refraction :1.664 ± 0.03 (est)
Surface Tension :74.9 ± 5.0 dyne/cm (est)
Density :1.50 ± 0.1 g/cm3 (est)
Polarizability :40.43 ± 0.5 10-24cm3 (est)