ChemSpider 2D Image | (5xi,8alpha,9xi,10alpha,13alpha,16xi)-18-Oxokauran-17-yl acetate | C22H34O3

(5ξ,8α,9ξ,10α,13α,16ξ)-18-Oxokauran-17-yl acetate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID22913543

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(5ξ,8α,9ξ,10α,13α,16ξ)-18-Oxokauran-17-yl acetate [ACD/IUPAC Name]
(5ξ,8α,9ξ,10α,13α,16ξ)-18-Oxokauran-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,8α,9ξ,10α,13α,16ξ)-18-oxokauran-17-yle [French] [ACD/IUPAC Name]
[(1S,5R,9S,13R)-5-formyl-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
41756-46-1 [RN]
Compound NP-007652

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

Density: 1.1±0.1 g/cm3
Boiling Point: 433.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 185.9±21.3 °C
Index of Refraction: 1.527
Molar Refractivity: 97.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13144.71
ACD/KOC (pH 5.5): 30888.05
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13144.71
ACD/KOC (pH 7.4): 30888.05
Polar Surface Area: 43 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 318.6±5.0 cm3

Click to predict properties on the Chemicalize site


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