ChemSpider 2D Image | (9beta)-13,28-Epoxyurs-11-ene-3,28-dione | C30H44O3

(9β)-13,28-Epoxyurs-11-ene-3,28-dione

  • Molecular FormulaC30H44O3
  • Average mass452.669 Da
  • Monoisotopic mass452.329041 Da
  • ChemSpider ID62452434

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5β,9β,10α)-13,28-Epoxyurs-11-en-3,28-dion [German] [ACD/IUPAC Name]
(5β,9β,10α)-13,28-Epoxyurs-11-ene-3,28-dione [ACD/IUPAC Name]
(5β,9β,10α)-13,28-Époxyurs-11-ène-3,28-dione [French] [ACD/IUPAC Name]
(9β)-13,28-Epoxyurs-11-en-3,28-dion [German] [ACD/IUPAC Name]
(9β)-13,28-Epoxyurs-11-ene-3,28-dione [ACD/IUPAC Name]
(9β)-13,28-Époxyurs-11-ène-3,28-dione [French] [ACD/IUPAC Name]
Urs-11-ene-3,28-dione, 13,28-epoxy-, (5β,9β,10α)- [ACD/Index Name]
Urs-11-ene-3,28-dione, 13,28-epoxy-, (9β)- [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: 561.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 237.0±30.2 °C
Index of Refraction: 1.558
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 69845.76
ACD/KOC (pH 5.5): 102097.72
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 69845.76
ACD/KOC (pH 7.4): 102097.72
Polar Surface Area: 43 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 405.1±5.0 cm3

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