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18088-27-2

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Basic Information
CAS No.: 18088-27-2
Name: (3beta)-3-Hydroxyandrosta-1,5-dien-17-one
Article Data: 2
Molecular Structure:
Molecular Structure of 18088-27-2 ((3beta)-3-Hydroxyandrosta-1,5-dien-17-one)
Formula: C19H26O2
Molecular Weight: 286.41
Synonyms: (3beta)-3-Hydroxyandrosta-1,5-dien-17-one;
Density: 1.144 g/cm3
Boiling Point: 437.204 °C at 760 mmHg
Flash Point: 186.43 °C
PSA: 37.30000
LogP: 3.65520
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Specification

The (3beta)-3-Hydroxyandrosta-1,5-dien-17-one with the CAS number 18088-27-2 is also called Androsta-1,5-dien-17-one, 3 -hydroxy- (8CI). The systematic name is (3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one. Its molecular formula is C19H26O2. 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: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.966; (4)ACD/LogD (pH 7.4): 2.966; (5)ACD/BCF (pH 5.5): 105.775; (6)ACD/BCF (pH 7.4): 105.775; (7)ACD/KOC (pH 5.5): 978.732; (8)ACD/KOC (pH 7.4): 978.732; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 83.023 cm3; (15)Molar Volume: 250.286 cm3; (16)Polarizability: 32.913×10-24cm3; (17)Surface Tension: 45.837 dyne/cm; (18)Enthalpy of Vaporization: 80.085 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(C=C[C@@H](C4)O)C
(2)InChI: InChI=1/C19H26O2/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/h3,7,9,13-16,20H,4-6,8,10-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: RMHPKSNNHHZEJF-USOAJAOKBP