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Basic Information
CAS No.: 2694-97-5
Name: 17beta-Hydroxy-17-methylandrosta-1,5-dien-3-one
Molecular Structure:
Molecular Structure of 2694-97-5 (17beta-Hydroxy-17-methylandrosta-1,5-dien-3-one)
Formula: C20H28O2
Molecular Weight: 300.441
Synonyms: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-3-one;Androsta-1,5-dien-3-one,17-hydroxy-17-methyl-(7CI,8CI)
Density: 1.128 g/cm3
Boiling Point: 436.124 °C at 760 mmHg
Flash Point: 185.982 °C
PSA: 37.30000
LogP: 4.04530
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Specification

The 17beta-Hydroxy-17-methylandrosta-1,5-dien-3-one is an organic compound with the formula C20H28O2. The systematic name of this chemical is (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-3-one. With the CAS registry number 2694-97-5, it is also named as Androsta-1,5-dien-3-one, 17 -hydroxy-17-methyl- (7CI,8CI).

Physical properties about 17beta-Hydroxy-17-methylandrosta-1,5-dien-3-one are: (1)ACD/LogP: 4.26; (2)ACD/LogD (pH 5.5): 4.261; (3)ACD/LogD (pH 7.4): 4.261; (4)ACD/BCF (pH 5.5): 1020.206; (5)ACD/BCF (pH 7.4): 1020.206; (6)ACD/KOC (pH 5.5): 4956.996; (7)ACD/KOC (pH 7.4): 4956.996; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 87.684 cm3; (14)Molar Volume: 266.314 cm3; (15)Polarizability: 34.761×10-24cm3; (16)Surface Tension: 44.966 dyne/cm; (17)Density: 1.128 g/cm3; (18)Flash Point: 185.982 °C; (19)Enthalpy of Vaporization: 79.943 kJ/mol; (20)Boiling Point: 436.124 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC=C4[C@@]3(C=CC(=O)C4)C
(2)InChI: InChI=1/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,6,9,15-17,22H,5,7-8,10-12H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
(3)InChIKey: WMAZMNFANLKALZ-HLXURNFRBW
(4)Std. InChI: InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,6,9,15-17,22H,5,7-8,10-12H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
(5)Std. InChIKey: WMAZMNFANLKALZ-HLXURNFRSA-N