(2S,5S)-theaspirone A

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :(2S,5S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
InChI :InChI=1/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10-,13+/m0/s1
Std.InChI: InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10-,13+/m0/s1
InChIKey :AXQMCYYCOKLZPP-GXFFZTMABO
Std.InChIKey: AXQMCYYCOKLZPP-GXFFZTMASA-N
SMILES :C[C@H]1CC[C@@]2(O1)C(=CC(=O)CC2(C)C)C
Molar Refractivity :59.68 ± 0.4 cm3 (est)
Parachor :491.6 ± 6.0 cm3 (est)
Index of Refraction :1.497 ± 0.03 (est)
Surface Tension :33.9 ± 5.0 dyne/cm (est)
Density :1.02 ± 0.1 g/cm3 (est)
Polarizability :23.65 ± 0.5 10-24cm3 (est)