ChemSpider 2D Image | (9xi,14xi)-6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate | C24H32O4

(9ξ,14ξ)-6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate

  • Molecular FormulaC24H32O4
  • Average mass384.509 Da
  • Monoisotopic mass384.230072 Da
  • ChemSpider ID23362238

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9ξ,14ξ)-6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
(9ξ,14ξ)-6-Methyl-3,20-dioxopregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (9ξ,14ξ)-6-méthyl-3,20-dioxoprégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-, (9ξ,14ξ)- [ACD/Index Name]
(8R,10R,13S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
[(8R,10R,13S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
595-33-5 [RN]
Acetic acid (8R,10R,13S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl ester
Megestrol acetate [BAN] [INN] [JAN] [USAN] [Wiki]
MFCD00056470 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 218.5±30.2 °C
Index of Refraction: 1.551
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 477.41
ACD/KOC (pH 5.5): 2878.41
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 477.41
ACD/KOC (pH 7.4): 2878.41
Polar Surface Area: 60 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

Click to predict properties on the Chemicalize site


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