ChemSpider 2D Image | Methyl (5xi,18xi)-3-oxolup-20(29)-en-28-oate | C31H48O3

Methyl (5ξ,18ξ)-3-oxolup-20(29)-en-28-oate

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID22875028

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5ξ,18ξ)-3-Oxolup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-oxo-, methyl ester, (5ξ,18ξ)- [ACD/Index Name]
Methyl (5ξ,18ξ)-3-oxolup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(5ξ,18ξ)-3-oxolup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
(1R,3aS,5aR,5bR,11aR,11bR,13aR)-methyl 5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 521.3±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 216.8±25.4 °C
    Index of Refraction: 1.514
    Molar Refractivity: 136.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 8.83
    ACD/LogD (pH 5.5): 8.17
    ACD/BCF (pH 5.5): 955629.31
    ACD/KOC (pH 5.5): 664140.38
    ACD/LogD (pH 7.4): 8.17
    ACD/BCF (pH 7.4): 955629.31
    ACD/KOC (pH 7.4): 664140.38
    Polar Surface Area: 43 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 36.1±3.0 dyne/cm
    Molar Volume: 453.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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