prednisone

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IUPAC Name :(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
InChI :InChI=1/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
Std.InChI: InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
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InChIKey :XOFYZVNMUHMLCC-ZPOLXVRWBN
Std.InChIKey: XOFYZVNMUHMLCC-ZPOLXVRWSA-N
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SMILES :C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C
Molar Refractivity :94.08 ± 0.4 cm3 (est)
Parachor :757.0 ± 6.0 cm3 (est)
Index of Refraction :1.603 ± 0.03 (est)
Surface Tension :58.5 ± 5.0 dyne/cm (est)
Density :1.30 ± 0.1 g/cm3 (est)
Polarizability :37.29 ± 0.5 10-24cm3 (est)