ChemSpider 2D Image | (3beta,4alpha,5alpha,9beta,23E)-4,14-Dimethyl-9,19-cyclocholest-23-ene-3,25-diol | C29H48O2

(3β,4α,5α,9β,23E)-4,14-Dimethyl-9,19-cyclocholest-23-ene-3,25-diol

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID33823753

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,4α,5α,9β,23E)-4,14-Dimethyl-9,19-cyclocholest-23-en-3,25-diol [German] [ACD/IUPAC Name]
(3β,4α,5α,9β,23E)-4,14-Dimethyl-9,19-cyclocholest-23-ene-3,25-diol [ACD/IUPAC Name]
(3β,4α,5α,9β,23E)-4,14-Diméthyl-9,19-cyclocholest-23-ène-3,25-diol [French] [ACD/IUPAC Name]
9,19-Cyclocholest-23-ene-3,25-diol, 4,14-dimethyl-, (3β,4α,5α,9β,23E)- [ACD/Index Name]
115040-04-5 [RN]
29-Norcycloart-23-ene-3,25-diol
MFCD22417309

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 532.5±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.0±6.0 kJ/mol
    Flash Point: 219.5±17.2 °C
    Index of Refraction: 1.553
    Molar Refractivity: 129.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 8.13
    ACD/LogD (pH 5.5): 7.30
    ACD/BCF (pH 5.5): 207842.44
    ACD/KOC (pH 5.5): 222848.44
    ACD/LogD (pH 7.4): 7.30
    ACD/BCF (pH 7.4): 207842.44
    ACD/KOC (pH 7.4): 222848.44
    Polar Surface Area: 40 Å2
    Polarizability: 51.1±0.5 10-24cm3
    Surface Tension: 43.6±5.0 dyne/cm
    Molar Volume: 402.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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