ChemSpider 2D Image | (3beta)-26-Hydroxycholest-5-en-3-yl acetate | C29H48O3

(3β)-26-Hydroxycholest-5-en-3-yl acetate

  • Molecular FormulaC29H48O3
  • Average mass444.690 Da
  • Monoisotopic mass444.360352 Da
  • ChemSpider ID48063664

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3β)-26-Hydroxycholest-5-en-3-yl acetate [ACD/IUPAC Name]
(3β)-26-Hydroxycholest-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-26-hydroxycholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-ene-3,26-diol, 3-acetate, (3β)- [ACD/Index Name]
(3S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
3-O-Acetyl-26-hydroxy cholesterol
50681-37-3 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 527.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 92.3±6.0 kJ/mol
    Flash Point: 194.3±18.2 °C
    Index of Refraction: 1.527
    Molar Refractivity: 131.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 8.70
    ACD/LogD (pH 5.5): 7.47
    ACD/BCF (pH 5.5): 281756.19
    ACD/KOC (pH 5.5): 277072.59
    ACD/LogD (pH 7.4): 7.47
    ACD/BCF (pH 7.4): 281756.19
    ACD/KOC (pH 7.4): 277072.59
    Polar Surface Area: 47 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 40.9±5.0 dyne/cm
    Molar Volume: 426.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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