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438-23-3

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Basic Information
CAS No.: 438-23-3
Name: ETIOCHOLANE
Article Data: 13
Molecular Structure:
Molecular Structure of 438-23-3 (ETIOCHOLANE)
Formula: C19H32
Molecular Weight: 260.463
Synonyms: 5b-Androstane (6CI,7CI,8CI);5-Epiandrostane;Etiocholane;Testan;Testane;
Density: 0.95 g/cm3
Melting Point: 78-80°
Boiling Point: 336 °C at 760 mmHg
Flash Point: 145.9 °C
PSA: 0.00000
LogP: 5.80930
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Specification

The Androstane, (5β)-, with the CAS registry number 438-23-3, is also known as 5-Epiandrostane . This chemical's molecular formula is C19H32 and molecular weight is 260.46. Its systematic name is called (5β)-androstane.

Physical properties of Androstane, (5β)-: (1)ACD/LogP: 8.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.42; (4)ACD/LogD (pH 7.4): 8.42; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 906304.13; (8)ACD/KOC (pH 7.4): 906304.13; (9)Index of Refraction: 1.508; (10)Molar Refractivity: 81.77 cm3; (11)Molar Volume: 274.1 cm3; (12)Surface Tension: 36 dyne/cm; (13)Density: 0.95 g/cm3; (14)Flash Point: 145.9 °C; (15)Enthalpy of Vaporization: 55.62 kJ/mol; (16)Boiling Point: 336 °C at 760 mmHg; (17)Vapour Pressure: 0.000224 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C3[C@@H]1CCCC[C@@]1([C@H]2CC[C@]4([C@H]([C@@H]2C3)CCC4)C)C
(2)InChI: InChI=1/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
(3)InChIKey: QZLYKIGBANMMBK-DYKIIFRCBC