Basic information
- Name:
19-Norpregn-4-ene-3,20-dione,17-(acetyloxy)-
- Superlist Name:
- Gestonoronacetat
- CAS No.:
31981-44-9
- Molecular Structure:
- Formula:
- C22H30O4
- Molecular Weight:
- 358.47
- Synonyms:
- 19-Norpregn-4-ene-3,20-dione,17-hydroxy-, acetate (6CI,7CI,8CI);17-Acetoxy-19-norpregn-4-en-3,20-dione;17-Acetoxy-19-norpregn-4-ene-3,20-dione;17-Acetoxy-19-norprogesterone;17a-Acetoxy-19-norprogesterone;
- EINECS:
- 250-882-8
- Density:
- 1.16 g/cm3
- Melting Point:
- 228-230 °C
- Boiling Point:
- 490.2 °C at 760 mmHg
- Flash Point:
- 212.8 °C
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Chemistry
Molecular Structure of 19-Norpregn-4-ene-3,20-dione,17-(acetyloxy)- (CAS NO.31981-44-9):
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IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Empirical Formula: C22H30O4
Molecular Weight: 358.4712
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 60.44 Å2
Index of Refraction: 1.545
Molar Refractivity: 97.44 cm3
Molar Volume: 308 cm3
Surface Tension: 44.9 dyne/cm
Density: 1.16 g/cm3
Flash Point: 212.8 °C
Enthalpy of Vaporization: 75.67 kJ/mol
Boiling Point: 490.2 °C at 760 mmHg
Vapour Pressure: 9.35E-10 mmHg at 25°C
Melting point: 228-230°C
InChI
InChI=1/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
Smiles
C1(CC[C@@H]2[C@H]3CC[C@@]4([C@](CC[C@@H]4[C@@H]3CCC2=C1)(C(C)=O)OC(C)=O)C)=O
Specification
19-Norpregn-4-ene-3,20-dione,17-(acetyloxy)- , with CAS number of 31981-44-9, can be called Gestonorone acetate ; gestonoronacetat ; 19-Nor-3,20-dioxopregna-4-ene-17-yl acetate ; 17-hydroxy-19-norpregn-4-ene-3,20-dione 17-acetate ; 17Alpha-acetoxy-19-norpregn-4-en-3,20-dione ; 17-acetoxy-19-norpregn-4-ene-3,20-dione ; 19-Nor-3,20-dioxopregna-4-ene-17-yl acetate,min98.5% ; 17-Acetyloxy-19-norpregn-4-ene-3,20-dione .
