ChemSpider 2D Image | Methyl (16beta)-15-oxokauran-18-oate | C21H32O3

Methyl (16β)-15-oxokauran-18-oate

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID24607002

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(16β)-15-Oxokauran-18-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (16β)-15-oxokauran-18-oate [ACD/IUPAC Name]
Methyl-(16β)-15-oxokauran-18-oat [German] [ACD/IUPAC Name]
(16R)-ENT-15-OXOKAURAN-18-OIC ACID METHYLESTER

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

Density: 1.1±0.1 g/cm3
Boiling Point: 423.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 182.2±26.8 °C
Index of Refraction: 1.528
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2155.26
ACD/KOC (pH 5.5): 8466.73
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2155.26
ACD/KOC (pH 7.4): 8466.73
Polar Surface Area: 43 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 302.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement