The Flunisolide [anhydrous], with the CAS registry number 77326-96-6, has the systematic name of (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS,12S)-12-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one. And the molecular formula of the chemical is C₂₄H₃₁FO₆.

The characteristics of Flunisolide [anhydrous] are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.93; (6)ACD/BCF (pH 7.4): 25.93; (7)ACD/KOC (pH 5.5): 357.77; (8)ACD/KOC (pH 7.4): 357.77; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 109.35 cm³; (15)Molar Volume: 325.6 cm³; (16)Polarizability: 43.35×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 305.7 °C; (20)Enthalpy of Vaporization: 99.88 kJ/mol; (21)Boiling Point: 581.8 °C at 760 mmHg; (22)Vapour Pressure: 5.87E-16 mmHg at 25°C.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\1\C=C/[C@]2(/C(=C/1)[C@@H](F)C[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)(C)C)C(=O)CO)C)C
(2)InChI: InChI=1/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
(3)InChIKey: XSFJVAJPIHIPKU-XWCQMRHXBG