ChemSpider 2D Image | (11beta)-3,20-Dioxopregna-1,4-diene-11,17,21-triyl triacetate | C27H34O8

(11β)-3,20-Dioxopregna-1,4-diene-11,17,21-triyl triacetate

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID22875489

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β)-3,20-Dioxopregna-1,4-dien-11,17,21-triyl-triacetat [German] [ACD/IUPAC Name]
(11β)-3,20-Dioxopregna-1,4-diene-11,17,21-triyl triacetate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,17,21-tris(acetyloxy)-, (11β)- [ACD/Index Name]
Triacétate de (11β)-3,20-dioxoprégna-1,4-diène-11,17,21-triyle [French] [ACD/IUPAC Name]
(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetoxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-11,17-diyl diacetate
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-diacetyloxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
16376-33-3 [RN]
Prednisolone, 11,17,21-triacetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 587.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.7±3.0 kJ/mol
    Flash Point: 249.1±30.2 °C
    Index of Refraction: 1.553
    Molar Refractivity: 124.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.62
    ACD/LogD (pH 5.5): 3.40
    ACD/BCF (pH 5.5): 226.99
    ACD/KOC (pH 5.5): 1690.56
    ACD/LogD (pH 7.4): 3.40
    ACD/BCF (pH 7.4): 226.99
    ACD/KOC (pH 7.4): 1690.56
    Polar Surface Area: 113 Å2
    Polarizability: 49.2±0.5 10-24cm3
    Surface Tension: 50.2±5.0 dyne/cm
    Molar Volume: 388.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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