IUPAC Name :3-[(E)-2-[(1S,2R)-1,4-dimethyl-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)cyclohex-3-en-1-yl]ethenyl]-1,4,5-trihydroxyxanthen-9-one
InChI :InChI=1/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+/t21-,36-/m0/s1
Std.InChI: InChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+/t21-,36-/m0/s1
InChIKey :XYRCPMXSIHHGSO-VDSQSLJXBN
Std.InChIKey: XYRCPMXSIHHGSO-VDSQSLJXSA-N
SMILES :CC1=C[C@H]([C@](CC1)(C)/C=C/C2=CC(=C3C(=C2O)OC4=C(C3=O)C=CC=C4O)O)C5=CC(=C6C(=C5O)OC7=C(C6=O)C=CC=C7O)O
Molar Refractivity :168.13 ± 0.3 cm3 (est)
Parachor :1214.8 ± 6.0 cm3 (est)
Index of Refraction :1.788 ± 0.02
(est)
Surface Tension :87.3 ± 3.0 dyne/cm (est)
Density :1.561 ± 0.06 g/cm3 (est)
Polarizability :66.65 ± 0.5 10-24cm3 (est)