panduratin A

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :(2,6-dihydroxy-4-methoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
InChI :InChI=1/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
Std.InChI: InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1
InChIKey :LYDZCXVWCFJAKQ-ZFGGDYGUBG
Std.InChIKey: LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
SMILES :CC1=CC[C@H]([C@@H]([C@@H]1CC=C(C)C)C(=O)C2=C(C=C(C=C2O)OC)O)C3=CC=CC=C3
Molar Refractivity :119.63 ± 0.3 cm3 (est)
Parachor :924.7 ± 6.0 cm3 (est)
Index of Refraction :1.578 ± 0.02 (est)
Surface Tension :43.3 ± 3.0 dyne/cm (est)
Density :1.128 ± 0.06 g/cm3 (est)
Polarizability :47.42 ± 0.5 10-24cm3 (est)