ChemSpider 2D Image | (11β)-11,21-Bis(acetyloxy)pregna-1,4,16-triene-3,20-dione | C25H30O6

(11β)-11,21-Bis(acetyloxy)pregna-1,4,16-triene-3,20-dione

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID22875349

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11β)-11,21-Bis(acetyloxy)pregna-1,4,16-triene-3,20-dione
(11β)-3,20-Dioxopregna-1,4,16-trien-11,21-diyl-diacetat [German] [ACD/IUPAC Name]
(11β)-3,20-Dioxopregna-1,4,16-triene-11,21-diyl diacetate [ACD/IUPAC Name]
23825-05-0 [RN]
Diacétate de (11β)-3,20-dioxoprégna-1,4,16-triène-11,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4,16-triene-3,20-dione, 11,21-bis(acetyloxy)-, (11β)- [ACD/Index Name]
[2-[(8S,9S,10R,11S,13S,14S)-11-acetyloxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
2-((8S,9S,10R,11S,13S,14S)-11-acetoxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 556.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 239.4±30.2 °C
    Index of Refraction: 1.566
    Molar Refractivity: 112.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.96
    ACD/LogD (pH 5.5): 3.21
    ACD/BCF (pH 5.5): 163.14
    ACD/KOC (pH 5.5): 1334.64
    ACD/LogD (pH 7.4): 3.21
    ACD/BCF (pH 7.4): 163.14
    ACD/KOC (pH 7.4): 1334.64
    Polar Surface Area: 87 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 345.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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