IUPAC Name :(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
InChI :InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
Std.InChI: InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey :MFYSYFVPBJMHGN-ZPOLXVRWBW
Std.InChIKey: MFYSYFVPBJMHGN-ZPOLXVRWSA-N
SMILES :C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
MDL: MFCD00003610
Molar Refractivity :94.17 ± 0.4 cm3 (est)
Parachor :769.4 ± 6.0 cm3 (est)
Index of Refraction :1.586 ± 0.03
(est)
Surface Tension :56.7 ± 5.0 dyne/cm (est)
Density :1.28 ± 0.1 g/cm3 (est)
Polarizability :37.33 ± 0.5 10-24cm3 (est)