IUPAC Name :[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
InChI :InChI=1/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29?,30+,31-,32+,33+,35+,36-/m1/s1
Std.InChI: InChI=1S/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3/t26-,29?,30+,31-,32+,33+,35+,36-/m1/s1
InChIKey :KPNKAGLPVPTLGB-WPAWQYJCBH
Std.InChIKey: KPNKAGLPVPTLGB-WPAWQYJCSA-N
SMILES :O=C(OC4CC[C@]3(\C(=C/C[C@H]2[C@H]1[C@]([C@@H]([C@H](C)CCCC(C)C)CC1)(C)CC[C@@H]23)C4)C)CCc5ccccc5
MDL: MFCD00003640
Molar Refractivity :158.90 ± 0.4 cm3 (est)
Parachor :1275.4 ± 6.0 cm3 (est)
Index of Refraction :1.543 ± 0.03
(est)
Surface Tension :41.1 ± 5.0 dyne/cm (est)
Density :1.02 ± 0.1 g/cm3 (est)
Polarizability :62.99 ± 0.5 10-24cm3 (est)