ChemSpider 2D Image | (17S)-13-Ethyl-17-hydroxy-17-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one | C20H26O2

(17S)-13-Ethyl-17-hydroxy-17-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID23208646
  • defined stereocentres - 1 of 4 defined stereocentres


More details:






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

(17S)-13-Ethyl-17-hydroxy-17-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-on [German] [ACD/IUPAC Name]
(17S)-13-Ethyl-17-hydroxy-17-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one [ACD/IUPAC Name]
(17S)-13-Éthyl-17-hydroxy-17-méthyl-1,2,6,7,8,13,14,15,16,17-décahydro-3H-cyclopenta[a]phénanthrén-3-one [French] [ACD/IUPAC Name]
13-Ethyl-17-hydroxy-17-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-cyclopenta[a]phenanthren-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 495.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 210.2±21.3 °C
Index of Refraction: 1.590
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.90
ACD/KOC (pH 5.5): 1373.97
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.90
ACD/KOC (pH 7.4): 1373.97
Polar Surface Area: 37 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 258.3±5.0 cm3

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