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3,20-Dioxopregn-4-en-17-beta-yl acetate

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Name

3,20-Dioxopregn-4-en-17-beta-yl acetate

EINECS 241-337-5
CAS No. 17308-02-0 Density 1.15 g/cm3
PSA 60.44000 LogP 4.40920
Solubility N/A Melting Point 198 °C
Formula C23H32O4 Boiling Point 490.2 °C at 760 mmHg
Molecular Weight 372.505 Flash Point 211.576 °C
Transport Information UN 2811 6.1/PG 2 Appearance N/A
Safety 22-24/25-45 Risk Codes 40-48
Molecular Structure Molecular Structure of 17308-02-0 (3,20-Dioxopregn-4-en-17-beta-yl acetate) Hazard Symbols HarmfulXn
Synonyms

17a-Pregn-4-ene-3,20-dione,17-hydroxy-, acetate (6CI,7CI,8CI);17-Acetoxyisopregn-4-ene-3,20-dione;

Article Data 37

3,20-Dioxopregn-4-en-17-beta-yl acetate Specification

The cas register number of 3,20-Dioxopregn-4-en-17-beta-yl acetate is 17308-02-0. It also can be called as 17-Hydroxypregn-4-ene-3,20-dione acetate and the IUPAC Name about this chemical is [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate. 

Physical properties about 3,20-Dioxopregn-4-en-17-beta-yl acetate are: (1)ACD/LogP: 3.64; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 60.44Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 102.104 cm3; (7)Molar Volume: 324.049 cm3; (8)Polarizability: 40.477x10-24cm3; (9)Surface Tension: 44.279 dyne/cm; (10)Enthalpy of Vaporization: 75.667 kJ/mol.

When you are using this chemical, please be cautious about it as the following:
This chemical is limited evidence of a carcinogenic effect and it has danger of serious damage to health by prolonged exposure. When you are using it, please not breathe dust and avoid contact with skin and eyes. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@](OC(=O)C)(C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)InChI: InChI=1/C23H32O4/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/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1
(3)InChIKey: VTHUYJIXSMGYOQ-KOORYGTMBP
(4)Std. InChI: InChI=1S/C23H32O4/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/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1
(5)Std. InChIKey: VTHUYJIXSMGYOQ-KOORYGTMSA-N

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