Androst-5-en-17-one,3-hydroxy-, (3a)- (2283-82-1)

The Dehydroandrosterone with the cas number 2283-82-1 is also called Androst-5-en-17-one, 3-hydroxy-, (3alpha)-.The IUPAC name is (3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one. Its molecular formula is C₁₉H₂₈O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 234.6; (6)ACD/BCF (pH 7.4): 234.6; (7)ACD/KOC (pH 5.5): 1730.96; (8)ACD/KOC (pH 7.4): 1730.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 83.11 cm³; (15)Molar Volume: 256.9 cm³; (16)Polarizability: 32.94×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Enthalpy of Vaporization: 78.7 kJ/mol; (19)Vapour Pressure: 4.54×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2CC3)\C[C@H](O)CC4)C)C
(2)InChI: InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
(3)InChIKey: FMGSKLZLMKYGDP-HKQXQEGQBW