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| CAS No.: | 32634-95-0 |
|---|---|
| Name: | 17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate |
| Molecular Structure: | |
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| Formula: | C24H32O4 |
| Molecular Weight: | 384.516 |
| Synonyms: | Pregn-4-ene-3,20-dione,17-hydroxy-6-methylene-, acetate (7CI,8CI);Progesterone,17-hydroxy-6-methylene-, acetate (6CI);17-Acetoxy-6-methylenepregn-4-ene-3,20-dione;17a-Acetoxy-6-methylenepregn-4-ene-3,20-dione;17a-Acetoxy-6-methyleneprogesterone;6,6'-Dehydromedroxyprogesterone acetate;NSC 58799; |
| EINECS: | 251-133-8 |
| Density: | 1.14 g/cm3 |
| Melting Point: | 248-251℃ (methanol ) |
| Boiling Point: | 507.6 °C at 760 mmHg |
| Flash Point: | 218.7 °C |
| Solubility: | 300μg/L at 20℃ |
| PSA: | 60.44000 |
| LogP: | 4.57530 |
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Specification
The CAS register number of Pregn-4-ene-3,20-dione,17-(acetyloxy)-6-methylene- is 32634-95-0. It also can be called as 6-methylidene-3,20-dioxopregn-4-en-17-yl acetate and the IUPAC name about this chemical is [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate. The molecular formula about this chemical is C24H32O4 and the molecular weight is 384.50848.
Physical properties about Pregn-4-ene-3,20-dione,17-(acetyloxy)-6-methylene- are: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.75; (3)ACD/LogD (pH 7.4): 3.75; (4)ACD/BCF (pH 5.5): 414.29; (5)ACD/BCF (pH 7.4): 414.29; (6)ACD/KOC (pH 5.5): 2600.58; (7)ACD/KOC (pH 7.4): 2600.58; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 60.44Å2; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 106.27 cm3; (13)Molar Volume: 335.3 cm3; (14)Polarizability: 42.13x10-24cm3; (15)Surface Tension: 43.5 dyne/cm; (16)Flash Point: 218.7 °C; (17)Enthalpy of Vaporization: 77.77 kJ/mol; (18)Boiling Point: 507.6 °C at 760 mmHg; (19)Vapour Pressure: 2E-10 mmHg at 25°C.
Preparation: this chemical can be prepared by dimethoxymethane and 17-acetoxy-pregn-4-ene-3,20-dione at heating. This reaction will need reagent sodium acetate, phosphoryl chloride and solvent CHCl3. The reaction time is 6 hour(s). The yield is about 78%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3\C(=C)C[C@@H]1[C@H](CC[C@@]2([C@@](OC(=O)C)(C(=O)C)CC[C@@H]12)C)[C@@]3(C)CC4
(2)InChI: InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
(3)InChIKey: YCDZXIYKJHQMIG-GQFGMJRRBF
(4)Std. InChI: InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
(5)Std. InChIKey: YCDZXIYKJHQMIG-GQFGMJRRSA-N