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Androst-16-en-3-ol, (3a,5a)- (1153-51-1)

Identification
Name:Androst-16-en-3-ol, (3a,5a)-
Synonyms:5a-Androst-16-en-3a-ol (6CI,7CI,8CI);3a-Hydroxy-5a-androst-16-ene;3a-Hydroxyandrost-16-ene;E 281;NSC 71076;
CAS:1153-51-1
EINECS: 214-573-1
Molecular Formula: C19H30O
Molecular Weight: 274.4409
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
Molecular Structure: (C19H30O) 5a-Androst-16-en-3a-ol (6CI,7CI,8CI);3a-Hydroxy-5a-androst-16-ene;3a-Hydroxyandrost-16-ene;E 281;NSC...
Properties
Melting Point: 140-141 ºC(lit.)
Flash Point: 156.5ºC
Boiling Point: 374.1 ºC at 760 mmHg
Density:1.037 g/cm3
Refractive index:1.54
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

Flash Point: 156.5ºC
Safety Data