ChemSpider 2D Image | (8R,10R,13R,17R)-3-Methoxy-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxirane] | C21H30O2

(8R,10R,13R,17R)-3-Methoxy-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxirane]

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID73991180

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(8R,10R,13R,17R)-3-Methoxy-10,13-dimethyl-1,2,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxirane] [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'-oxirane], 1,2,7,8,9,10,11,12,13,14,15,16-dodecahydro-3-methoxy-10,13-dimethyl-, (8R,10R,13R,17R)- [ACD/Index Name]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 452.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 170.2±28.3 °C
    Index of Refraction: 1.566
    Molar Refractivity: 91.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.62
    ACD/LogD (pH 5.5): 4.32
    ACD/BCF (pH 5.5): 1130.66
    ACD/KOC (pH 5.5): 5335.48
    ACD/LogD (pH 7.4): 4.32
    ACD/BCF (pH 7.4): 1130.66
    ACD/KOC (pH 7.4): 5335.48
    Polar Surface Area: 22 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 41.6±5.0 dyne/cm
    Molar Volume: 281.5±5.0 cm3

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