InChI: | InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1 |
Specification: |
The (3alpha,5alpha)-Androst-16-en-3-ol with the cas number 1153-51-1. It is also called(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, which is also it's IUPAC name, and it's system Names are (1) 5alpha-Androst-16-en-3alpha-ol ; (2) Androst-16-en-3-ol, (3alpha,5alpha)- ; (3) Androst-16-en-3-ol, (3alpha,5alpha)- (9CI). It belongs to the following product categories: steroids.
Physical properties about (3alpha,5alpha)-Androst-16-en-3-ol are: (1)ACD/LogP: 5.88 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 5.88 ; (4)ACD/LogD (pH 7.4): 5.88 ; (5)ACD/BCF (pH 5.5): 17447 ; (6)ACD/BCF (pH 7.4): 17447 ; (7)ACD/KOC (pH 5.5): 37827.77 ; (8)ACD/KOC (pH 7.4): 37827.77 ; (9)#H bond acceptors: 1 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 1 ; (12)Polar Surface Area: 9.23Å2 ; (13)Index of Refraction: 1.54 ; (14)Molar Refractivity: 82.96 cm3 ; (15)Molar Volume: 264.4 cm3 ; (16)Polarizability: 32.89 ×10-24cm3 ; (17)Surface Tension: 41.1 dyne/cm ; (18)Density: 1.037 g/cm3 ; (19)Flash Point: 156.5 °C ; (20)Enthalpy of Vaporization: 71.9 kJ/mol ; (21)Boiling Point: 374.1 °C at 760 mmHg ; (22)Vapour Pressure: 4E-07 mmHg at 25°C
Uses of (3alpha,5alpha)-Androst-16-en-3-ol: We examined the effects of 5alpha-androst-16-en-3alpha-ol on pulsatile luteinizing hormone (LH) secretion in human females. The frequency of the LH pulse in the follicular phase was decreased by exposing the women to 5alpha-androst-16-en-3alpha-ol.
You can still convert the following datas into molecular structure :
(1).SMILES:O[C@H]4C[C@@H]3CC[C@H]2[C@H]1[C@@](/C=C\C1)(CC[C@@H]2[C@@]3(C)CC4)C
(2).InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
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