ChemSpider 2D Image | (3beta,5alpha,17beta)-3-Acetoxyandrostan-17-yl benzoate | C28H38O4

(3β,5α,17β)-3-Acetoxyandrostan-17-yl benzoate

  • Molecular FormulaC28H38O4
  • Average mass438.599 Da
  • Monoisotopic mass438.277008 Da
  • ChemSpider ID22875435

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,17β)-3-Acetoxyandrostan-17-yl benzoate [ACD/IUPAC Name]
(3β,5α,17β)-3-Acetoxyandrostan-17-yl-benzoat [German] [ACD/IUPAC Name]
Androstane-3,17-diol, 3-acetate 17-benzoate, (3β,5α,17β)- [ACD/Index Name]
Benzoate de (3β,5α,17β)-3-acétoxyandrostan-17-yle [French] [ACD/IUPAC Name]
(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate
[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
61894-45-9 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 517.5±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.0±3.0 kJ/mol
    Flash Point: 250.7±21.0 °C
    Index of Refraction: 1.559
    Molar Refractivity: 124.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 8.14
    ACD/LogD (pH 5.5): 6.83
    ACD/BCF (pH 5.5): 91708.58
    ACD/KOC (pH 5.5): 124071.57
    ACD/LogD (pH 7.4): 6.83
    ACD/BCF (pH 7.4): 91708.58
    ACD/KOC (pH 7.4): 124071.57
    Polar Surface Area: 53 Å2
    Polarizability: 49.2±0.5 10-24cm3
    Surface Tension: 45.7±5.0 dyne/cm
    Molar Volume: 384.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement