ChemSpider 2D Image | (5beta)-3,20-Dioxopregnan-21-yl acetate | C23H34O4

(5β)-3,20-Dioxopregnan-21-yl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID48063715

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β)-3,20-Dioxopregnan-21-yl acetate [ACD/IUPAC Name]
(5β)-3,20-Dioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β)-3,20-dioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 21-(acetyloxy)-, (5β)- [ACD/Index Name]
(5??)-21-(Acetoxy)pregnane-3,20-dione
(5β)-21-(Acetoxy)pregnane-3,20-dione
(5β)-21-(acetoxy)pregnane-3,20-dione
[2-[(5R,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-((5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
2402-25-7 [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: 486.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.2±3.0 kJ/mol
    Flash Point: 209.6±27.4 °C
    Index of Refraction: 1.516
    Molar Refractivity: 102.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.80
    ACD/LogD (pH 5.5): 4.06
    ACD/BCF (pH 5.5): 713.18
    ACD/KOC (pH 5.5): 3836.37
    ACD/LogD (pH 7.4): 4.06
    ACD/BCF (pH 7.4): 713.18
    ACD/KOC (pH 7.4): 3836.37
    Polar Surface Area: 60 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 338.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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