ChemSpider 2D Image | (5xi,9xi,13xi,17xi,18xi)-28-Oxo-19,28-epoxyoleanan-3-yl acetate | C32H50O4

(5ξ,9ξ,13ξ,17ξ,18ξ)-28-Oxo-19,28-epoxyoleanan-3-yl acetate

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID22871049

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,17ξ,18ξ)-28-Oxo-19,28-epoxyoleanan-3-yl acetate [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ)-28-Oxo-19,28-epoxyoleanan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5ξ,9ξ,13ξ,17ξ,18ξ)-28-oxo-19,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
Oleanan-28-one, 3-(acetyloxy)-19,28-epoxy-, (5ξ,9ξ,13ξ,17ξ,18ξ)- [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: 566.6±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 273.8±21.0 °C
    Index of Refraction: 1.541
    Molar Refractivity: 141.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 8.73
    ACD/LogD (pH 5.5): 7.56
    ACD/BCF (pH 5.5): 325974.47
    ACD/KOC (pH 5.5): 307546.13
    ACD/LogD (pH 7.4): 7.56
    ACD/BCF (pH 7.4): 325974.47
    ACD/KOC (pH 7.4): 307546.13
    Polar Surface Area: 53 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 42.7±5.0 dyne/cm
    Molar Volume: 450.6±5.0 cm3

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