The 17α-Pregn-4-ene-3,11,20-trione(6CI,7CI,8CI), with the CAS registry number 26423-78-9, has the systematic name of (17α)-pregn-4-ene-3,11,20-trione. The molecular formula of the chemical is C₂₁H₂₈O₃, and its molecular weight is 328.4452.

The characteristics of 17α-Pregn-4-ene-3,11,20-trione(6CI,7CI,8CI) are as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 51.21 Å²; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 91.07 cm³; (9)Molar Volume: 285.8 cm³; (10)Polarizability: 36.1×10^-24cm³; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.14 g/cm³; (13)Flash Point: 209.3 °C; (14)Enthalpy of Vaporization: 75.35 kJ/mol; (15)Boiling Point: 487.6 °C at 760 mmHg; (16)Vapour Pressure: 1.17E-09 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C)[C@@H]3CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C
(2)InChI: InChI=1/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16-,17-,19+,20-,21+/m0/s1
(3)InChIKey: WKAVAGKRWFGIEA-LANMLWSUBM