The Gestrinone, with the CAS registry number 16320-04-0, is also known as 13b-Ethyl-17a-ethynyl-D4,9,11-gonatriene-17b-ol-3-one. It belongs to the product categories of Active Pharmaceutical Ingredients; Hormone; Intermediates & Fine Chemicals; Pharmaceuticals; Steroids. This chemical's molecular formula is C₂₁H₂₄O₂ and molecular weight is 308.41. What's more, both its IUPAC name and systematic name are the same which is called (8S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one. Gestrinone is a synthetic steroid hormone that acts as an anti-progestin and also has some androgenic activity.

Physical properties about Gestrinone are: (1)ACD/LogP: 3.314; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 194.21; (6)ACD/BCF (pH 7.4): 194.21; (7)ACD/KOC (pH 5.5): 1511.99; (8)ACD/KOC (pH 7.4): 1511.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 89.591 cm³; (15)Molar Volume: 259.447 cm³; (16)Polarizability: 35.517×10^-24cm³; (17)Surface Tension: 51.505 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 214.913 °C; (20)Enthalpy of Vaporization: 89.547 kJ/mol; (21)Boiling Point: 507.638 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4\C=C3/C(=C2/C=C\[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)CC)CC4
(2) InChI: InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1
(3) InChIKey: BJJXHLWLUDYTGC-ANULTFPQSA-N

The toxicity data is as follows: