italidipyrone

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IUPAC Name :6-ethyl-3-[[3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-2,4,6-trihydroxy-5-(2-methylbutanoyl)phenyl]methyl]-4-hydroxy-5-methylpyran-2-one
InChI :InChI=1/C29H34O10/c1-7-12(4)22(30)21-26(34)15(10-17-23(31)13(5)19(8-2)38-28(17)36)25(33)16(27(21)35)11-18-24(32)14(6)20(9-3)39-29(18)37/h12,31-35H,7-11H2,1-6H3
Std.InChI: InChI=1S/C29H34O10/c1-7-12(4)22(30)21-26(34)15(10-17-23(31)13(5)19(8-2)38-28(17)36)25(33)16(27(21)35)11-18-24(32)14(6)20(9-3)39-29(18)37/h12,31-35H,7-11H2,1-6H3
InChIKey :NAKDDLYFPVLAAL-UHFFFAOYAO
Std.InChIKey: NAKDDLYFPVLAAL-UHFFFAOYSA-N
SMILES :CCC1=C(C(=C(C(=O)O1)CC2=C(C(=C(C(=C2O)C(=O)C(C)CC)O)CC3=C(C(=C(OC3=O)CC)C)O)O)O)C
Molar Refractivity :140.83 ± 0.3 cm3 (est)
Parachor :1117.0 ± 6.0 cm3 (est)
Index of Refraction :1.625 ± 0.02 (est)
Surface Tension :62.0 ± 3.0 dyne/cm (est)
Density :1.362 ± 0.06 g/cm3 (est)
Polarizability :55.83 ± 0.5 10-24cm3 (est)