IUPAC Name :[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
InChI :InChI=1/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36?,37-,38+,39+,43+,44-,45-,46-/m1/s1
Std.InChI: InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36?,37-,38+,39+,43+,44-,45-,46-/m1/s1
InChIKey :OPGQHWKKODQISN-ZWJGQMMPBF
Std.InChIKey: OPGQHWKKODQISN-ZWJGQMMPSA-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(CO)[C@@H](O)C5)C)C)CCCCCCCCCCCCCCC
Molar Refractivity :209.38 ± 0.4 cm3 (est)
Parachor :1736.5 ± 6.0 cm3 (est)
Index of Refraction :1.529 ± 0.03
(est)
Surface Tension :42.9 ± 5.0 dyne/cm (est)
Density :1.02 ± 0.1 g/cm3 (est)
Polarizability :83.00 ± 0.5 10-24cm3 (est)