ChemSpider 2D Image | Methyl (5alpha)-4,4,14-trimethyl-3,7,11,15-tetraoxochola-8,20-dien-24-oate | C28H36O6

Methyl (5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochola-8,20-dien-24-oate

  • Molecular FormulaC28H36O6
  • Average mass468.582 Da
  • Monoisotopic mass468.251190 Da
  • ChemSpider ID78440964

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α)-4,4,14-Triméthyl-3,7,11,15-tétraoxochola-8,20-dién-24-oate de méthyle [French] [ACD/IUPAC Name]
Chola-8,20-dien-24-oic acid, 4,4,14-trimethyl-3,7,11,15-tetraoxo-, methyl ester, (5α)- [ACD/Index Name]
Methyl (5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochola-8,20-dien-24-oate [ACD/IUPAC Name]
Methyl-(5α)-4,4,14-trimethyl-3,7,11,15-tetraoxochola-8,20-dien-24-oat [German] [ACD/IUPAC Name]
Ganodernoid C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 247.1±30.2 °C
Index of Refraction: 1.548
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.60
ACD/KOC (pH 5.5): 1508.59
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.60
ACD/KOC (pH 7.4): 1508.59
Polar Surface Area: 95 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 393.1±5.0 cm3

Click to predict properties on the Chemicalize site


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