IUPAC Name :[(3S,7S,8R,9S,10R,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-7-yl] benzoate
InChI :InChI=1/C28H34O5/c1-17(29)32-20-11-13-27(2)19(15-20)16-23(33-26(31)18-7-5-4-6-8-18)25-21-9-10-24(30)28(21,3)14-12-22(25)27/h4-8,16,20-23,25H,9-15H2,1-3H3/t20-,21-,22-,23+,25-,27-,28-/m0/s1
Std.InChI: InChI=1S/C28H34O5/c1-17(29)32-20-11-13-27(2)19(15-20)16-23(33-26(31)18-7-5-4-6-8-18)25-21-9-10-24(30)28(21,3)14-12-22(25)27/h4-8,16,20-23,25H,9-15H2,1-3H3/t20-,21-,22-,23+,25-,27-,28-/m0/s1
InChIKey :MEODRVPTUXZOCM-PVPHLPABBO
Std.InChIKey: MEODRVPTUXZOCM-PVPHLPABSA-N
SMILES :O=C(O[C@@H]4/C=C1/C[C@@H](OC(=O)C)CC[C@@]1([C@H]3CC[C@@]2(C(=O)CC[C@H]2[C@@H]34)C)C)c5ccccc5
Molar Refractivity :123.87 ± 0.4 cm3 (est)
Parachor :989.6 ± 6.0 cm3 (est)
Index of Refraction :1.577 ± 0.03
(est)
Surface Tension :49.3 ± 5.0 dyne/cm (est)
Density :1.20 ± 0.1 g/cm3 (est)
Polarizability :49.10 ± 0.5 10-24cm3 (est)