ChemSpider 2D Image | (3beta,5xi,9xi,11alpha,20R,24S)-20,24-Epoxydammarane-3,11,25-triol | C30H52O4

(3β,5ξ,9ξ,11α,20R,24S)-20,24-Epoxydammarane-3,11,25-triol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID22875243

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(3β,5ξ,9ξ,11α,20R,24S)-20,24-Epoxydammaran-3,11,25-triol [German] [ACD/IUPAC Name]
(3β,5ξ,9ξ,11α,20R,24S)-20,24-Epoxydammarane-3,11,25-triol [ACD/IUPAC Name]
(3β,5ξ,9ξ,11α,20R,24S)-20,24-Époxydammarane-3,11,25-triol [French] [ACD/IUPAC Name]
Dammarane-3,11,25-triol, 20,24-epoxy-, (3β,5ξ,9ξ,11α,20R,24S)- [ACD/Index Name]
(3S,8R,10S,11R,13R,14R,17S)-17-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 563.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±6.0 kJ/mol
    Flash Point: 294.8±28.7 °C
    Index of Refraction: 1.533
    Molar Refractivity: 136.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 5.64
    ACD/BCF (pH 5.5): 11324.25
    ACD/KOC (pH 5.5): 27761.89
    ACD/LogD (pH 7.4): 5.64
    ACD/BCF (pH 7.4): 11324.25
    ACD/KOC (pH 7.4): 27761.89
    Polar Surface Area: 70 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 440.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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