ChemSpider 2D Image | Methyl (8alpha,10alpha,13alpha,17alpha,18alpha)-2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate | C32H43NO4

Methyl (8α,10α,13α,17α,18α)-2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate

  • Molecular FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID111309637

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,10α,13α,17α,18α)-2-Cyano-3,12-dioxooléana-1,9(11)-dién-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (8α,10α,13α,17α,18α)-2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate [ACD/IUPAC Name]
Methyl-(8α,10α,13α,17α,18α)-2-cyan-3,12-dioxooleana-1,9(11)-dien-28-oat [German] [ACD/IUPAC Name]
Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester, (8α,10α,13α,17α,18α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 256.5±21.7 °C
Index of Refraction: 1.559
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55028.50
ACD/KOC (pH 5.5): 86078.48
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55028.50
ACD/KOC (pH 7.4): 86078.48
Polar Surface Area: 84 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


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