ChemSpider 2D Image | (3alpha,5xi,18xi)-28-Hydroxylup-20(29)-en-3-yl acetate | C32H52O3

(3α,5ξ,18ξ)-28-Hydroxylup-20(29)-en-3-yl acetate

  • Molecular FormulaC32H52O3
  • Average mass484.754 Da
  • Monoisotopic mass484.391632 Da
  • ChemSpider ID22875471

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3α,5ξ,18ξ)-28-Hydroxylup-20(29)-en-3-yl acetate [ACD/IUPAC Name]
(3α,5ξ,18ξ)-28-Hydroxylup-20(29)-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5ξ,18ξ)-28-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Lup-20(29)-ene-3,28-diol, 3-acetate, (3α,5ξ,18ξ)- [ACD/Index Name]
(1R,3aS,5aR,5bR,9R,11aR,11bR,13aR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl acetate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 535.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.3±6.0 kJ/mol
    Flash Point: 192.7±15.4 °C
    Index of Refraction: 1.535
    Molar Refractivity: 142.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 9.91
    ACD/LogD (pH 5.5): 8.72
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1327014.63
    ACD/LogD (pH 7.4): 8.72
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1327014.63
    Polar Surface Area: 47 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 41.2±5.0 dyne/cm
    Molar Volume: 458.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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