Products Categories
CAS No.: | 382-45-6 |
---|---|
Name: | Adrenosterone |
Article Data: | 64 |
Molecular Structure: | |
Formula: | C19H24O3 |
Molecular Weight: | 306.445 |
Synonyms: | (+)-Adrenosterone;11-Keto-4-androstene-3,17-dione;11-Oxo-4-androstene-3,17-dione;Andrenosterone;NSC 12166;Reichstein's substance G;(8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,10,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17(2H)-trione;Androst-4-ene-3,11,17-trione; |
EINECS: | 206-843-2 |
Density: | 1.188 g/cm3 |
Melting Point: | 219-222 °C(lit.) |
Boiling Point: | 476.078 °C at 760 mmHg |
Flash Point: | 205.986 °C |
Solubility: | Soluble in ethanol, acetone and ethyl ether |
Appearance: | Off-White to Pale Yellow Solid |
PSA: | 51.21000 |
LogP: | 3.26640 |
The Adrenosterone, with the CAS registry number 382-45-6, is also known as (8S,9S,10R,13S,14S)-10,13-Dimethyl-6,7,8,9,10,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17(2H)-trione. It belongs to the product categories of Pharmaceutical Intermediates; Steroids; 17-Ketosteroids; Biochemistry; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 206-843-2. This chemical's molecular formula is C19H24O3 and molecular weight is 300.39. What's more, its systematic name is Androst-4-ene-3,11,17-trione. This chemical should be sealed and stored. It is used in biochemical research.
Physical properties of Adrenosterone are:
(1)ACD/LogP: 1.218; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.97; (6)ACD/BCF (pH 7.4): 4.97; (7)ACD/KOC (pH 5.5): 109.61; (8)ACD/KOC (pH 7.4): 109.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.21 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 81.833 cm3; (15)Molar Volume: 252.82 cm3; (16)Polarizability: 32.441×10-24cm3; (17)Surface Tension: 46.16 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 205.986 °C; (20)Enthalpy of Vaporization: 73.972 kJ/mol; (21)Boiling Point: 476.078 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of Adrenosterone:
Adrenosterone can be prepared by 11,17,21-trihydroxy-pregn-4-ene-3,20-dione at the ambient temperature. This reaction will need reagent pyridinium dichromate and solvent CH2Cl2 with the reaction time of 44 hours. The yield is about 91%.
Uses of Adrenosterone:
it can be used to produce 17b-hydroxy-androst-4-ene-3,11-dione. This reaction will need reagent NaBH4 and solvents methanol, pyridine. The yield is about 67%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4/C=C3/CC[C@@H]2[C@H](C(=O)C[C@@]1(C(=O)CC[C@H]12)C)[C@@]3(C)CC4
(2)Std. InChI: InChI=1S/C19H24O3/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/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
(3)Std. InChIKey: RZRPTBIGEANTGU-IRIMSJTPSA-N