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25126-76-5

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Basic Information
CAS No.: 25126-76-5
Name: (3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Article Data: 65
Molecular Structure:
Molecular Structure of 25126-76-5 ((3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol)
Formula: C19H32O2
Molecular Weight: 292.462
Synonyms: 5x-Androstane-3,17-diol;5x-Androstane-3x,17x-diol;Androstanediol;
Density: 1.09 g/cm3
Boiling Point: 415 °C at 760 mmHg
Flash Point: 186 °C
PSA: 40.46000
LogP: 3.75090
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Specification

The Androstane-3,17-diol is an organic compound with the formula C19H32O2. The IUPAC name of this chemical is (3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol. With the CAS registry number 25126-76-5, it is also named as (3α,5α)-Androstane-3,17-diol. Besides, its molecular weight is 292.4562.

Physical properties about Androstane-3,17-diol are: (1)ACD/LogP: 4.33; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 18.46 Å2; (6)Index of Refraction: 1.546; (7)Molar Refractivity: 84.95 cm3; (8)Molar Volume: 268.1 cm3; (9)Polarizability: 33.67×10-24 cm3; (10)Surface Tension: 42.6 dyne/cm; (11)Density: 1.09 g/cm3; (12)Flash Point: 186 °C; (13)Enthalpy of Vaporization: 77.17 kJ/mol; (14)Boiling Point: 415 °C at 760 mmHg; (15)Vapour Pressure: 1.27E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1
(2)InChIKey: CBMYJHIOYJEBSB-UNPXRYTGBV
(3)Std. InChI: InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1
(4)Std. InChIKey: CBMYJHIOYJEBSB-UNPXRYTGSA-N