ChemSpider 2D Image | (3beta,17alpha)-24-Oxo-20,24-epoxychol-5-en-3-yl acetate | C26H38O4

(3β,17α)-24-Oxo-20,24-epoxychol-5-en-3-yl acetate

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID34564813

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,17α)-24-Oxo-20,24-epoxychol-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,17α)-24-Oxo-20,24-epoxychol-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,17α)-24-oxo-20,24-époxychol-5-én-3-yle [French] [ACD/IUPAC Name]
Chol-5-en-24-one, 3-(acetyloxy)-20,24-epoxy-, (3β,17α)- [ACD/Index Name]
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-(2-methyl-5-oxotetrahydrofuran-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 527.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 259.6±28.5 °C
Index of Refraction: 1.547
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10855.11
ACD/KOC (pH 5.5): 26933.70
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10855.11
ACD/KOC (pH 7.4): 26933.70
Polar Surface Area: 53 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 364.1±5.0 cm3

Click to predict properties on the Chemicalize site


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