ChemSpider 2D Image | (6alpha,11beta)-6-Methyl-3,20-dioxopregna-1,4-diene-11,17,21-triyl triacetate | C28H36O8

(6α,11β)-6-Methyl-3,20-dioxopregna-1,4-diene-11,17,21-triyl triacetate

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID17468436

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,11β)-6-Methyl-3,20-dioxopregna-1,4-dien-11,17,21-triyl-triacetat [German] [ACD/IUPAC Name]
(6α,11β)-6-Methyl-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)-6-methyl-, (6α,11β)- [ACD/Index Name]
Triacétate de (6α,11β)-6-méthyl-3,20-dioxoprégna-1,4-diène-11,17,21-triyle [French] [ACD/IUPAC Name]
(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetoxyacetyl)-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-11,17-diyl diacetate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 592.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±3.0 kJ/mol
    Flash Point: 250.0±30.2 °C
    Index of Refraction: 1.549
    Molar Refractivity: 128.8±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 3.84
    ACD/BCF (pH 5.5): 484.56
    ACD/KOC (pH 5.5): 2909.20
    ACD/LogD (pH 7.4): 3.84
    ACD/BCF (pH 7.4): 484.56
    ACD/KOC (pH 7.4): 2909.20
    Polar Surface Area: 113 Å2
    Polarizability: 51.1±0.5 10-24cm3
    Surface Tension: 49.0±5.0 dyne/cm
    Molar Volume: 404.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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