IUPAC Name :[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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] acetate
InChI :InChI=1/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
Std.InChI: InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey :PBWOIPCULUXTNY-LBKBYZTLBT
Std.InChIKey: PBWOIPCULUXTNY-LBKBYZTLSA-N
SMILES :O=C(O[C@@H]4C/C3=C/C[C@@H]1[C@H](CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C)C)[C@@]3(C)CC4)C
MDL: MFCD00083497
Molar Refractivity :138.79 ± 0.4 cm3 (est)
Parachor :1139.6 ± 6.0 cm3 (est)
Index of Refraction :1.512 ± 0.03
(est)
Surface Tension :37.0 ± 5.0 dyne/cm (est)
Density :0.98 ± 0.1 g/cm3 (est)
Polarizability :55.02 ± 0.5 10-24cm3 (est)