ChemSpider 2D Image | (11beta,16alpha)-17-Hydroperoxy-16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate | C26H34O8

(11β,16α)-17-Hydroperoxy-16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate

  • Molecular FormulaC26H34O8
  • Average mass474.543 Da
  • Monoisotopic mass474.225372 Da
  • ChemSpider ID22875383

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α)-17-Hydroperoxy-16-methyl-3,20-dioxopregna-1,4-dien-11,21-diyl-diacetat [German] [ACD/IUPAC Name]
(11β,16α)-17-Hydroperoxy-16-methyl-3,20-dioxopregna-1,4-diene-11,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (11β,16α)-17-hydroperoxy-16-méthyl-3,20-dioxoprégna-1,4-diène-11,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-17-hydroperoxy-16-methyl-, (11β,16α)- [ACD/Index Name]
[2-[(8S,9S,10R,11S,13S,14S,16R,17R)-11-acetyloxy-17-hydroperoxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
1262897-24-4 [RN]
2-((8S,9S,10R,11S,13S,14S,16R,17R)-11-acetoxy-17-hydroperoxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-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: 1.3±0.1 g/cm3
    Boiling Point: 608.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 103.7±6.0 kJ/mol
    Flash Point: 199.8±25.0 °C
    Index of Refraction: 1.562
    Molar Refractivity: 121.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 512.22
    ACD/KOC (pH 5.5): 3027.11
    ACD/LogD (pH 7.4): 3.87
    ACD/BCF (pH 7.4): 512.15
    ACD/KOC (pH 7.4): 3026.75
    Polar Surface Area: 116 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 52.1±5.0 dyne/cm
    Molar Volume: 373.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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