(+)-silymonin

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
InChI :InChI=1/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-7,13-14,18,21,23,26-28,31H,8-9H2,1H3/t13-,14-,18+,21+,23+,25-/m1/s1
Std.InChI: InChI=1S/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-7,13-14,18,21,23,26-28,31H,8-9H2,1H3/t13-,14-,18+,21+,23+,25-/m1/s1
InChIKey :YBGWTZSEYYMFJI-AXUSBXICBC
Std.InChIKey: YBGWTZSEYYMFJI-AXUSBXICSA-N
SMILES :COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5CC(=O)C6=C(C=C(C=C6O5)O)O)O)O
Molar Refractivity :115.41 ± 0.3 cm3 (est)
Parachor :880.8 ± 6.0 cm3 (est)
Index of Refraction :1.724 ± 0.02 (est)
Surface Tension :84.0 ± 3.0 dyne/cm (est)
Density :1.603 ± 0.06 g/cm3 (est)
Polarizability :45.75 ± 0.5 10-24cm3 (est)