ChemSpider 2D Image | (11beta)-3,20-Dioxopregn-4-ene-11,17,21-triyl triacetate | C27H36O8

(11β)-3,20-Dioxopregn-4-ene-11,17,21-triyl triacetate

  • Molecular FormulaC27H36O8
  • Average mass488.570 Da
  • Monoisotopic mass488.241028 Da
  • ChemSpider ID27524366

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β)-3,20-Dioxopregn-4-en-11,17,21-triyl-triacetat [German] [ACD/IUPAC Name]
(11β)-3,20-Dioxopregn-4-ene-11,17,21-triyl triacetate [ACD/IUPAC Name]
3517-51-9 [RN]
Pregn-4-ene-3,20-dione, 11,17,21-tris(acetyloxy)-, (11β)- [ACD/Index Name]
Triacétate de (11β)-3,20-dioxoprégn-4-ène-11,17,21-triyle [French] [ACD/IUPAC Name]
(8S,9S,10R,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-11,17-diyl diacetate
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-diacetoxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-diacetyloxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 13064946
Hydrocortisone 11,17,21-Triacetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 585.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.4±3.0 kJ/mol
    Flash Point: 247.9±30.2 °C
    Index of Refraction: 1.542
    Molar Refractivity: 124.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 235.36
    ACD/KOC (pH 5.5): 1734.98
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 235.36
    ACD/KOC (pH 7.4): 1734.98
    Polar Surface Area: 113 Å2
    Polarizability: 49.3±0.5 10-24cm3
    Surface Tension: 49.1±5.0 dyne/cm
    Molar Volume: 394.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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