ChemSpider 2D Image | (5xi,18xi)-3-Oxolup-20(29)-en-28-al | C30H46O2

(5ξ,18ξ)-3-Oxolup-20(29)-en-28-al

  • Molecular FormulaC30H46O2
  • Average mass438.685 Da
  • Monoisotopic mass438.349792 Da
  • ChemSpider ID22875208

  • 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)-en-28-al [ACD/IUPAC Name]
(5ξ,18ξ)-3-Oxolup-20(29)-en-28-al [German] [ACD/IUPAC Name]
(5ξ,18ξ)-3-Oxolup-20(29)-én-28-al [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-al, 3-oxo-, (5ξ,18ξ)- [ACD/Index Name]
(1R,3aS,5aR,5bR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 511.7±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 188.9±22.4 °C
    Index of Refraction: 1.538
    Molar Refractivity: 132.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 8.49
    ACD/LogD (pH 5.5): 7.80
    ACD/BCF (pH 5.5): 498827.47
    ACD/KOC (pH 5.5): 417027.22
    ACD/LogD (pH 7.4): 7.80
    ACD/BCF (pH 7.4): 498827.47
    ACD/KOC (pH 7.4): 417027.22
    Polar Surface Area: 34 Å2
    Polarizability: 52.4±0.5 10-24cm3
    Surface Tension: 38.9±3.0 dyne/cm
    Molar Volume: 422.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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