IUPAC Name :5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
InChI :InChI=1/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27+,28-/m1/s1
Std.InChI: InChI=1S/C28H42O7/c1-15(2)11-17(22-24(32)18(13-29)23(31)19(14-30)25(22)33)20-8-10-28(6,35)21-12-16(26(3,4)34)7-9-27(20,21)5/h13-17,20-21,31-35H,7-12H2,1-6H3/t16-,17?,20+,21-,27+,28-/m1/s1
InChIKey :PXQFFMATXFLUPK-FBWULOCEBI
Std.InChIKey: PXQFFMATXFLUPK-FBWULOCESA-N
SMILES :CC(C)CC([C@@H]1CC[C@@]([C@H]2[C@]1(CC[C@H](C2)C(C)(C)O)C)(C)O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O
Molar Refractivity :136.88 ± 0.3 cm3 (est)
Parachor :1098.7 ± 6.0 cm3 (est)
Index of Refraction :1.600 ± 0.02
(est)
Surface Tension :56.9 ± 3.0 dyne/cm (est)
Density :1.226 ± 0.06 g/cm3 (est)
Polarizability :54.26 ± 0.5 10-24cm3 (est)