IUPAC Name :[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-octyldecanoate
InChI :InChI=1/C47H86O2/c1-9-12-14-16-18-20-22-38(23-21-19-17-15-13-10-2)45(48)49-40-30-32-46(7)39(34-40)26-27-41-43-29-28-42(47(43,8)33-31-44(41)46)36(6)24-25-37(11-3)35(4)5/h35-44H,9-34H2,1-8H3/t36-,37-,39-,40+,41+,42-,43+,44+,46+,47-/m1/s1
Std.InChI: InChI=1S/C47H86O2/c1-9-12-14-16-18-20-22-38(23-21-19-17-15-13-10-2)45(48)49-40-30-32-46(7)39(34-40)26-27-41-43-29-28-42(47(43,8)33-31-44(41)46)36(6)24-25-37(11-3)35(4)5/h35-44H,9-34H2,1-8H3/t36-,37-,39-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey :VKIHTSHHXDQXBA-UCDKQBMZBQ
Std.InChIKey: VKIHTSHHXDQXBA-UCDKQBMZSA-N
SMILES :CCCCCCCCC(CCCCCCCC)C(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)C
Molar Refractivity :213.16 ± 0.4 cm3 (est)
Parachor :1792.8 ± 6.0 cm3 (est)
Index of Refraction :1.498 ± 0.03
(est)
Surface Tension :37.0 ± 5.0 dyne/cm (est)
Density :0.93 ± 0.1 g/cm3 (est)
Polarizability :84.50 ± 0.5 10-24cm3 (est)