ChemSpider 2D Image | (3beta,5alpha,14beta)-4,4-Dimethyl-15-oxocholest-8-en-3-yl benzoate | C36H52O3

(3β,5α,14β)-4,4-Dimethyl-15-oxocholest-8-en-3-yl benzoate

  • Molecular FormulaC36H52O3
  • Average mass532.796 Da
  • Monoisotopic mass532.391663 Da
  • ChemSpider ID8801471

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α,14β)-4,4-Dimethyl-15-oxocholest-8-en-3-yl benzoate [ACD/IUPAC Name]
(3β,5α,14β)-4,4-Dimethyl-15-oxocholest-8-en-3-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3β,5α,14β)-4,4-diméthyl-15-oxocholest-8-én-3-yle [French] [ACD/IUPAC Name]
Cholest-8-en-15-one, 3-(benzoyloxy)-4,4-dimethyl-, (3β,5α,14β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 247.1±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 11.38
ACD/LogD (pH 5.5): 9.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6234289.00
ACD/LogD (pH 7.4): 9.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6234289.00
Polar Surface Area: 43 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 500.1±5.0 cm3

Click to predict properties on the Chemicalize site


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