IUPAC Name :[(1R,2S,6S)-2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
InChI :InChI=1/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
Std.InChI: InChI=1S/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
InChIKey :TZOIGLRIMJUSFR-QQDDVHTNBP
Std.InChIKey: TZOIGLRIMJUSFR-QQDDVHTNSA-N
SMILES :CC1=C[C@@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C(=C(C=C6)O)CC=C(C)C)O
Molar Refractivity :181.76 ± 0.3 cm3 (est)
Parachor :1346.4 ± 6.0 cm3 (est)
Index of Refraction :1.700 ± 0.02
(est)
Surface Tension :67.3 ± 3.0 dyne/cm (est)
Density :1.380 ± 0.06 g/cm3 (est)
Polarizability :72.05 ± 0.5 10-24cm3 (est)