ChemSpider 2D Image | (8R,9S,10R,13S,14S,17S)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl cyclobutanecarboxylate | C26H34O3

(8R,9S,10R,13S,14S,17S)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl cyclobutanecarboxylate

  • Molecular FormulaC26H34O3
  • Average mass394.546 Da
  • Monoisotopic mass394.250793 Da
  • ChemSpider ID21165289
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(8R,9S,10R,13S,14S,17S)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl cyclobutanecarboxylate [ACD/IUPAC Name]
(8R,9S,10R,13S,14S,17S)-17-Ethinyl-13-ethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl-cyclobutancarboxylat [German] [ACD/IUPAC Name]
289-271-6 [EINECS]
86679-36-9 [RN]
Cyclobutanecarboxylate de (8R,9S,10R,13S,14S,17S)-13-éthyl-17-éthynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yle [French] [ACD/IUPAC Name]
13-ethyl-17α-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one cyclobutanecarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 219.9±30.2 °C
Index of Refraction: 1.565
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2418.58
ACD/KOC (pH 5.5): 9194.94
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2418.58
ACD/KOC (pH 7.4): 9194.94
Polar Surface Area: 43 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 342.6±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form