ChemSpider 2D Image | (3beta,9xi,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl acetate | C32H54O4

(3β,9ξ,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl acetate

  • Molecular FormulaC32H54O4
  • Average mass502.769 Da
  • Monoisotopic mass502.402222 Da
  • ChemSpider ID17466815

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,9ξ,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl acetate [ACD/IUPAC Name]
(3β,9ξ,24R)-25-Hydroxy-20,24-epoxydammaran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,9ξ,24R)-25-hydroxy-20,24-époxydammaran-3-yle [French] [ACD/IUPAC Name]
Dammarane-3,25-diol, 20,24-epoxy-, 3-acetate, (3β,9ξ,24R)- [ACD/Index Name]
(3S,5R,8R,10R,13R,14R,17S)-17-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-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: 546.1±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 94.9±6.0 kJ/mol
    Flash Point: 161.5±13.9 °C
    Index of Refraction: 1.530
    Molar Refractivity: 145.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 8.80
    ACD/LogD (pH 5.5): 8.19
    ACD/BCF (pH 5.5): 993196.13
    ACD/KOC (pH 5.5): 682725.56
    ACD/LogD (pH 7.4): 8.19
    ACD/BCF (pH 7.4): 993196.13
    ACD/KOC (pH 7.4): 682725.56
    Polar Surface Area: 56 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 41.6±5.0 dyne/cm
    Molar Volume: 469.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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