ChemSpider 2D Image | (11beta,18S)-18-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-21-yl acetate | C23H30O6

(11β,18S)-18-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-21-yl acetate

  • Molecular FormulaC23H30O6
  • Average mass402.481 Da
  • Monoisotopic mass402.204254 Da
  • ChemSpider ID29786860

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(11β,18S)-18-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-21-yl acetate [ACD/IUPAC Name]
(11β,18S)-18-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
2827-21-6 [RN]
Acétate de (11β,18S)-18-hydroxy-3,20-dioxo-11,18-époxyprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,18-epoxy-18-hydroxy-, (11β)-
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,18-epoxy-18-hydroxy-, (11β,18S)- [ACD/Index Name]
(11b)-21-(Acetyloxy)-11,18-epoxy-18-hydroxy-pregn-4-ene-3,20-dione
(11α)-18-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-21-yl acetate [ACD/IUPAC Name]
11-β,18-EPOXY-18-HYDROXY-3,20-DIOXOPREGN-4-EN-21-YL ACETATE
297-91-6 [RN]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 588.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±6.0 kJ/mol
    Flash Point: 203.2±23.6 °C
    Index of Refraction: 1.581
    Molar Refractivity: 103.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.57
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 8.39
    ACD/KOC (pH 5.5): 159.55
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 8.39
    ACD/KOC (pH 7.4): 159.55
    Polar Surface Area: 90 Å2
    Polarizability: 40.9±0.5 10-24cm3
    Surface Tension: 54.3±5.0 dyne/cm
    Molar Volume: 310.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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