ChemSpider 2D Image | (8S,14S,17S)-13,17-Dimethyl-17-propionyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one | C22H30O2

(8S,14S,17S)-13,17-Dimethyl-17-propionyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC22H30O2
  • Average mass326.472 Da
  • Monoisotopic mass326.224579 Da
  • ChemSpider ID28529571

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(8S,14S,17S)-13,17-Dimethyl-17-propionyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(8S,14S,17S)-13,17-Dimethyl-17-propionyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(8S,14S,17S)-13,17-Diméthyl-17-propionyl-1,2,6,7,8,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-methyl-17-(1-oxopropyl)-, (13ξ,17β)- [ACD/Index Name]
34184-77-5 [RN]
Promegestone [INN] [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 180.4±25.7 °C
Index of Refraction: 1.553
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1026.13
ACD/KOC (pH 5.5): 4977.58
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1026.13
ACD/KOC (pH 7.4): 4977.58
Polar Surface Area: 34 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site


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