IUPAC Name :[(3S,6aR,6bS,8aR,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] tetratriacontanoate
InChI :InChI=1/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3/t52-,53+,55?,56-,57+,59-,61-,62+,63-,64-/m1/s1
Std.InChI: InChI=1S/C64H116O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-58(65)66-57-46-48-62(7)55(60(57,4)5)45-49-64(9)56(62)43-42-54-59-53(3)52(2)44-47-61(59,6)50-51-63(54,64)8/h42,52-53,55-57,59H,10-41,43-51H2,1-9H3/t52-,53+,55?,56-,57+,59-,61-,62+,63-,64-/m1/s1
InChIKey :JQGZKTFAYYVRDZ-ZZISAQBCBL
Std.InChIKey: JQGZKTFAYYVRDZ-ZZISAQBCSA-N
SMILES :CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C)C)C
Molar Refractivity :289.64 ± 0.4 cm3 (est)
Parachor :2425.5 ± 6.0 cm3 (est)
Index of Refraction :1.508 ± 0.03
(est)
Surface Tension :38.8 ± 5.0 dyne/cm (est)
Density :0.94 ± 0.1 g/cm3 (est)
Polarizability :114.82 ± 0.5 10-24cm3 (est)