ChemSpider 2D Image | (3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-chlorobenzoate | C34H49ClO2

(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-chlorobenzoate

  • Molecular FormulaC34H49ClO2
  • Average mass525.205 Da
  • Monoisotopic mass524.342102 Da
  • ChemSpider ID17468874

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-chlorobenzoate [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17S)-10,13-Dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl-2-chlorbenzoat [German] [ACD/IUPAC Name]
2-Chlorobenzoate de (3S,8S,9S,10R,13R,14S,17S)-10,13-diméthyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-yle [French] [ACD/IUPAC Name]
[(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-octyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chlorobenzoate
1041652-59-8 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 591.2±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.2±3.0 kJ/mol
    Flash Point: 306.7±20.8 °C
    Index of Refraction: 1.555
    Molar Refractivity: 154.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 13.33
    ACD/LogD (pH 5.5): 12.14
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 12.14
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 26 Å2
    Polarizability: 61.3±0.5 10-24cm3
    Surface Tension: 43.6±5.0 dyne/cm
    Molar Volume: 481.1±5.0 cm3

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