Androst-4-ene-3,17-dione,11-hydroxy-, (11β)- supplier

Name
4-ANDROSTEN-11BETA-OL-3,17-DIONE
EINECS
CAS No. 382-44-5
Article Data3
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point 197-199℃
Formula C₁₉H₂₆O₃
Boiling Point 475.3 °C at 760 mmHg
Molecular Weight 302.414
Flash Point 255.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Androst-4-ene-3,17-dione,11b-hydroxy- (8CI);(11b)-11-Hydroxyandrost-4-ene-3,17-dione;11b-Hydroxy-4-androsten-3,17-dione;11b-Hydroxy-D4-androstene-3,17-dione;11b-Hydroxyandrost-4-ene-3,17-dione;4-Androsten-11b-ol-3,17-dione;4-Androstene-11b-ol-3,17-dione;NSC 12167;NSC 17102;U 2826;D4-Androsten-11b-ol-3,17-dione;D4-Androstene-11b-ol-3,17-dione;
PSA 54.37000
LogP 3.05820

Androst-4-ene-3,17-dione,11-hydroxy-, (11β)- Specification

The Androst-4-ene-3,17-dione,11-hydroxy-, (11β)- is an organic compound with the formula C₁₉H₂₆O₃. The IUPAC name of this chemical is (8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione. With the CAS registry number 382-44-5, it is also named as (11β)-11-Hydroxyandrost-4-ene-3,17-dione. The product's category is Steroids.

Physical properties about Androst-4-ene-3,17-dione,11-hydroxy-, (11β)- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.47; (5)ACD/BCF (pH 7.4): 5.47; (6)ACD/KOC (pH 5.5): 117.4; (7)ACD/KOC (pH 7.4): 117.4; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 83.22 cm³; (14)Molar Volume: 253.8 cm³; (15)Polarizability: 32.99×10^-24cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.19 g/cm³; (18)Flash Point: 255.4 °C; (19)Enthalpy of Vaporization: 85.16 kJ/mol; (20)Boiling Point: 475.3 °C at 760 mmHg; (21)Vapour Pressure: 4.95E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/[C@@](C)([C@H]2[C@@H](O)C[C@@]1(C(=O)CC[C@H]1[C@@H]2CC3)C)CC4
(2)InChI: InChI=1/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
(3)InChIKey: WSCUHXPGYUMQEX-KCZNZURUBA
(4)Std. InChI: InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
(5)Std. InChIKey: WSCUHXPGYUMQEX-KCZNZURUSA-N

Product Name

4-ANDROSTEN-11BETA-OL-3,17-DIONE

Androst-4-ene-3,17-dione,11-hydroxy-, (11β)- Specification

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