ChemSpider 2D Image | [(1R,3aS,5aR,5bR,9S,11aR,13aR)-9-Acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate | C33H52O5

[(1R,3aS,5aR,5bR,9S,11aR,13aR)-9-Acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID22871811

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

[(1R,3aS,5aR,5bR,9S,11aR,13aR)-9-Acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate [ACD/IUPAC Name]
[(1R,3aS,5aR,5bR,9S,11aR,13aR)-9-Acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(1R,3aS,5aR,5bR,9S,11aR,13aR)-9-acétoxy-1-acétyl-5a,5b,8,8,11a-pentaméthylicosahydro-3aH-cyclopenta[a]chrysén-3a-yl]méthyle [French] [ACD/IUPAC Name]
Ethanone, 1-[(1R,3aS,5aR,5bR,9S,11aR,13aR)-9-(acetyloxy)-3a-[(acetyloxy)methyl]eicosahydro-5a,5b,8,8,11a-pentamethyl-1H-cyclopenta[a]chrysen-1-yl]- [ACD/Index Name]
((1R,3aS,5aR,5bR,9S,11aR,13aR)-9-acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl acetate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 562.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 231.5±20.4 °C
    Index of Refraction: 1.528
    Molar Refractivity: 148.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 8.38
    ACD/LogD (pH 5.5): 7.82
    ACD/BCF (pH 5.5): 516341.31
    ACD/KOC (pH 5.5): 427456.38
    ACD/LogD (pH 7.4): 7.82
    ACD/BCF (pH 7.4): 516341.31
    ACD/KOC (pH 7.4): 427456.38
    Polar Surface Area: 70 Å2
    Polarizability: 58.8±0.5 10-24cm3
    Surface Tension: 42.5±5.0 dyne/cm
    Molar Volume: 481.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement