ChemSpider 2D Image | Methyl (1alpha,2alpha)-3,12-dioxo-1,2-epoxyolean-9(11)-en-28-oate | C31H44O5

Methyl (1α,2α)-3,12-dioxo-1,2-epoxyolean-9(11)-en-28-oate

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID58917652
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1α,2α)-3,12-Dioxo-1,2-époxyoléan-9(11)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (1α,2α)-3,12-dioxo-1,2-epoxyolean-9(11)-en-28-oate [ACD/IUPAC Name]
Methyl-(1α,2α)-3,12-dioxo-1,2-epoxyolean-9(11)-en-28-oat [German] [ACD/IUPAC Name]
Olean-9(11)-en-28-oic acid, 1,2-epoxy-3,12-dioxo-, methyl ester, (1α,2α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 241.3±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13208.44
ACD/KOC (pH 5.5): 30995.13
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13208.44
ACD/KOC (pH 7.4): 30995.13
Polar Surface Area: 73 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 423.8±5.0 cm3

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