IUPAC Name :4-hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl]cyclohex-2-en-1-one
InChI :InChI=1/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+
Std.InChI: InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+
InChIKey :PMGQCIZHFNQTAO-YTEPGLGFBQ
Std.InChIKey: PMGQCIZHFNQTAO-YTEPGLGFSA-N
SMILES :C\C(=C/COC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
Molar Refractivity :105.65 ± 0.4 cm3 (est)
Parachor :880.9 ± 6.0 cm3 (est)
Index of Refraction :1.584 ± 0.03
(est)
Surface Tension :60.7 ± 5.0 dyne/cm (est)
Density :1.30 ± 0.1 g/cm3 (est)
Polarizability :41.88 ± 0.5 10-24cm3 (est)