ChemSpider 2D Image | (3beta,5beta)-3,14,17-Trihydroxycard-20(22)-enolide | C23H34O5

(3β,5β)-3,14,17-Trihydroxycard-20(22)-enolide

  • Molecular FormulaC23H34O5
  • Average mass390.513 Da
  • Monoisotopic mass390.240631 Da
  • ChemSpider ID35519904

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-3,14,17-Trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3,14,17-Trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3,14,17-Trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,14,17-trihydroxy-, (3β,5β)- [ACD/Index Name]
17-Hydroxydigitoxigenin
26629-41-4 [RN]
3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
4-((3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
MFCD28144722
PST2286

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 588.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±6.0 kJ/mol
    Flash Point: 202.5±23.6 °C
    Index of Refraction: 1.613
    Molar Refractivity: 104.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 11.03
    ACD/KOC (pH 5.5): 194.02
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 11.03
    ACD/KOC (pH 7.4): 194.02
    Polar Surface Area: 87 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 62.3±3.0 dyne/cm
    Molar Volume: 299.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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