17a-Acetoxypregnenolone supplier

Name
17-ACETOXYPREGNENOLONE
EINECS 219-180-9
CAS No. 2381-45-5
Article Data11
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 230-232℃
Formula C₂₃H₃₄O₄
Boiling Point 486.6 °C at 760 mmHg
Molecular Weight 374.521
Flash Point 160.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pregn-5-en-20-one,3b,17-dihydroxy-,17-acetate(6CI,7CI,8CI);17-Acetoxy-3b-hydroxypregn-5-en-20-one;(3β)-3-Hydroxy-20-oxopregn-5-en-17-yl acetate;NSC 77893;3-Hydroxy-20-oxo-5-pregnen-17alpha-yl acetate;
PSA 63.60000
LogP 4.20100

17a-Acetoxypregnenolone Specification

The CAS registry number of Pregn-5-en-20-one,17-(acetyloxy)-3-hydroxy-, (3b)- is 2381-45-5. Its EINECS registry number is 219-180-9. The IUPAC name is [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate. In addition, the molecular formula is C₂₃H₃₄O₄ and the molecular weight is 374.51. It is also called 3-hydroxy-20-oxo-5-pregnen-17alpha-yl acetate. What's more, it belongs to the class of Steroids and should be stored in a cool and dry place.

Physical properties about Pregn-5-en-20-one,17-(acetyloxy)-3-hydroxy-, (3b)- are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 769.62; (5)ACD/BCF (pH 7.4): 769.62; (6)ACD/KOC (pH 5.5): 4051.32; (7)ACD/KOC (pH 7.4): 4051.32; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 103.5 cm³; (14)Molar Volume: 325.1 cm³; (15)Polarizability: 41.03 ×10^-24cm³; (16)Surface Tension: 45.7 dyne/cm; (17)Density: 1.15 g/cm³; (18)Flash Point: 160.9 °C; (19)Enthalpy of Vaporization: 86.68 kJ/mol; (20)Boiling Point: 486.6 °C at 760 mmHg; (21)Vapour Pressure: 1.64E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([C@@]1(OC(=O)C)CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C(=C/C3)\C[C@@H](O)CC4)C)C
(2)InChI: InChI=1/C23H34O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3/t17-,18+,19-,20-,21-,22-,23-/m0/s1
(3)InChIKey: KRBMZSYRIJAAMS-KIYFCUGLBB

Product Name

17-ACETOXYPREGNENOLONE

17a-Acetoxypregnenolone Specification

Related Products

Hot Products