IUPAC Name :methyl (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
InChI :InChI=1/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1
Std.InChI: InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1
InChIKey :PGZCJOPTDHWYES-HMXCVIKNBH
Std.InChIKey: PGZCJOPTDHWYES-HMXCVIKNSA-N
SMILES :CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C
Molar Refractivity :93.89 ± 0.3 cm3 (est)
Parachor :756.0 ± 6.0 cm3 (est)
Index of Refraction :1.519 ± 0.02
(est)
Surface Tension :35.8 ± 3.0 dyne/cm (est)
Density :1.017 ± 0.06 g/cm3 (est)
Polarizability :37.22 ± 0.5 10-24cm3 (est)