ChemSpider 2D Image | 3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-Acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-propanediyl diacetate | C28H44O6

3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-Acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-propanediyl diacetate

  • Molecular FormulaC28H44O6
  • Average mass476.645 Da
  • Monoisotopic mass476.313782 Da
  • ChemSpider ID22906526

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-Acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-propandiyl-diacetat [German] [ACD/IUPAC Name]
3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-Acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-propanediyl diacetate [ACD/IUPAC Name]
3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-Acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propane-1,2-diyl diacetate (non-preferred name)
Diacétate de 3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-acétoxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-1,2-propanediyle [French] [ACD/IUPAC Name]
[2-acetyloxy-3-[(3S,5S,8S,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] acetate
2-(acetyloxy)-1-{[3-(acetyloxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]methyl}ethyl acetate
3-((3S,5S,8S,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)propane-1,2-diyl diacetate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 532.5±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 223.1±21.8 °C
    Index of Refraction: 1.518
    Molar Refractivity: 129.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.77
    ACD/LogD (pH 5.5): 6.01
    ACD/BCF (pH 5.5): 21782.66
    ACD/KOC (pH 5.5): 44341.03
    ACD/LogD (pH 7.4): 6.01
    ACD/BCF (pH 7.4): 21782.66
    ACD/KOC (pH 7.4): 44341.03
    Polar Surface Area: 79 Å2
    Polarizability: 51.1±0.5 10-24cm3
    Surface Tension: 42.8±5.0 dyne/cm
    Molar Volume: 425.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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