IUPAC Name :[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosanoate
InChI :InChI=1/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3
Std.InChI: InChI=1S/C51H92O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h31,40-42,44-48H,8-30,32-39H2,1-7H3
InChIKey :KESLVCKDQOQELG-UHFFFAOYAV
Std.InChIKey: KESLVCKDQOQELG-UHFFFAOYSA-N
SMILES :CCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(CC)C(C)C)C)C
Molar Refractivity :231.41 ± 0.4 cm3 (est)
Parachor :1941.1 ± 6.0 cm3 (est)
Index of Refraction :1.502 ± 0.03
(est)
Surface Tension :37.7 ± 5.0 dyne/cm (est)
Density :0.94 ± 0.1 g/cm3 (est)
Polarizability :91.74 ± 0.5 10-24cm3 (est)