IUPAC Name :[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
InChI :InChI=1/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3/b26-25+/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
Std.InChI: InChI=1S/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3/b26-25+/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey :OCCJRXYEZCKHHI-DZTXZVREBD
Std.InChIKey: OCCJRXYEZCKHHI-DZTXZVRESA-N
SMILES :CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)/C=C/[C@@H](CC)C(C)C)C)C
Molar Refractivity :212.80 ± 0.4 cm3 (est)
Parachor :1768.4 ± 6.0 cm3 (est)
Index of Refraction :1.509 ± 0.03
(est)
Surface Tension :38.0 ± 5.0 dyne/cm (est)
Density :0.95 ± 0.1 g/cm3 (est)
Polarizability :84.36 ± 0.5 10-24cm3 (est)