IUPAC Name :[(3S,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
InChI :InChI=1/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37?,38-,39+,43-,44+,45-,46-/m1/s1
Std.InChI: InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37?,38-,39+,43-,44+,45-,46-/m1/s1
InChIKey :VFSRKCNYYCXRGI-LAZBMHKSBW
Std.InChIKey: VFSRKCNYYCXRGI-LAZBMHKSSA-N
SMILES :O=C(O[C@H]2CC[C@@]1([C@@H]3[C@](CCC1C2(C)C)(C)[C@]5(C(=C/C3)\[C@H]4CC(C)(C)CC[C@]4(C)CC5)C)C)CCCCCCCCCCCCCCC
Molar Refractivity :206.34 ± 0.4 cm3 (est)
Parachor :1704.5 ± 6.0 cm3 (est)
Index of Refraction :1.515 ± 0.03
(est)
Surface Tension :38.7 ± 5.0 dyne/cm (est)
Density :0.97 ± 0.1 g/cm3 (est)
Polarizability :81.79 ± 0.5 10-24cm3 (est)