11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-valerate

The Acepreval, with the CAS registry number 72064-79-0, is also known as 21-(Acetyloxy)-11-beta-hydroxy-17-((1-oxopentyl)oxy)pregna-1,4-diene-3,20-dione. It belongs to the product category of Steroids. Its EINECS registry number is 276-312-8. This chemical's molecular formula is C₂₈H₃₈O₇ and molecular weight is 486.597. Its IUPAC name is called [(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate. This chemical's classification codes are Drug / Therapeutic Agent; Hormone; Reproductive Effect.

Physical properties of Acepreval: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1777.33; (6)ACD/BCF (pH 7.4): 1777.33; (7)ACD/KOC (pH 5.5): 7375.34; (8)ACD/KOC (pH 7.4): 7375.34; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 128.54 cm³; (14)Molar Volume: 398.6 cm³; (15)Surface Tension: 50.8 dyne/cm; (16)Density: 1.22 g/cm³; (17)Flash Point: 196.3 °C; (18)Enthalpy of Vaporization: 104.04 kJ/mol; (19)Boiling Point: 610.9 °C at 760 mmHg; (20)Vapour Pressure: 1.78E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@@]1(OC(=O)CCCC)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3CC4)C)C
(2)InChI: InChI=1/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
(3)InChIKey: DGYSDXLCLKPUBR-SLPNHVECBD

The toxicity data is as follows: