ChemSpider 2D Image | (5alpha,13alpha,20S)-4,4,14-Trimethyl-3-oxocard-7-enolide | C26H38O3

(5α,13α,20S)-4,4,14-Trimethyl-3-oxocard-7-enolide

  • Molecular FormulaC26H38O3
  • Average mass398.578 Da
  • Monoisotopic mass398.282104 Da
  • ChemSpider ID35293830

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,13α,20S)-4,4,14-Trimethyl-3-oxocard-7-enolid [German] [ACD/IUPAC Name]
(5α,13α,20S)-4,4,14-Trimethyl-3-oxocard-7-enolide [ACD/IUPAC Name]
(5α,13α,20S)-4,4,14-Triméthyl-3-oxocard-7-énolide [French] [ACD/IUPAC Name]
Card-7-enolide, 4,4,14-trimethyl-3-oxo-, (5α,13α,20S)- [ACD/Index Name]
[828935-47-3] [RN]
3-Oxo-24,25,26,27-tetranortirucall-7-en-23,21-olide
828935-47-3 [RN]
MFCD20260813

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 523.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.8±3.0 kJ/mol
    Flash Point: 224.3±30.2 °C
    Index of Refraction: 1.549
    Molar Refractivity: 113.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.40
    ACD/LogD (pH 5.5): 5.22
    ACD/BCF (pH 5.5): 5490.81
    ACD/KOC (pH 5.5): 16535.75
    ACD/LogD (pH 7.4): 5.22
    ACD/BCF (pH 7.4): 5490.81
    ACD/KOC (pH 7.4): 16535.75
    Polar Surface Area: 43 Å2
    Polarizability: 45.1±0.5 10-24cm3
    Surface Tension: 42.9±5.0 dyne/cm
    Molar Volume: 357.9±5.0 cm3

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