CAS No.17308-02-0,3,20-Dioxopregn-4-en-17-beta-yl acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17308-02-0
Name:	3,20-Dioxopregn-4-en-17-beta-yl acetate
Article Data:	37

Formula:	C₂₃H₃₂O₄
Molecular Weight:	372.505
Synonyms:	17a-Pregn-4-ene-3,20-dione,17-hydroxy-, acetate (6CI,7CI,8CI);17-Acetoxyisopregn-4-ene-3,20-dione;
EINECS:	241-337-5
Density:	1.15 g/cm³
Melting Point:	198 °C
Boiling Point:	490.2 °C at 760 mmHg
Flash Point:	211.576 °C
Hazard Symbols:	Xn
Risk Codes:	40-48
Safety:	22-24/25-45
Transport Information:	UN 2811 6.1/PG 2
PSA:	60.44000
LogP:	4.40920

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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