ChemSpider 2D Image | (2beta,3beta,5beta,22R,24S,25S,28R)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-ene-6,26-dione | C29H44O8

(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-ene-6,26-dione

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID57257155

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-en-6,26-dion [German] [ACD/IUPAC Name]
(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,28-Pentahydroxy-22,26-epoxystigmast-7-ene-6,26-dione [ACD/IUPAC Name]
(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,28-Pentahydroxy-22,26-époxystigmast-7-ène-6,26-dione [French] [ACD/IUPAC Name]
Stigmast-7-ene-6,26-dione, 22,26-epoxy-2,3,14,20,28-pentahydroxy-, (2β,3β,5β,22R,24S,25S,28R)- [ACD/Index Name]
27335-85-9 [RN]
MFCD29049449
Precyasterone

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 726.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.4 mmHg at 25°C
    Enthalpy of Vaporization: 121.1±6.0 kJ/mol
    Flash Point: 235.9±26.4 °C
    Index of Refraction: 1.600
    Molar Refractivity: 135.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: -0.50
    ACD/LogD (pH 5.5): 0.41
    ACD/BCF (pH 5.5): 1.20
    ACD/KOC (pH 5.5): 39.54
    ACD/LogD (pH 7.4): 0.41
    ACD/BCF (pH 7.4): 1.20
    ACD/KOC (pH 7.4): 39.54
    Polar Surface Area: 145 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 62.2±5.0 dyne/cm
    Molar Volume: 395.5±5.0 cm3

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