ChemSpider 2D Image | picrasin B | C21H28O6

picrasin B

  • Molecular FormulaC21H28O6
  • Average mass376.443 Da
  • Monoisotopic mass376.188599 Da
  • ChemSpider ID28425453

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α)-2-Hydroxy-12-methoxypicras-12-en-1,11,16-trion [German] [ACD/IUPAC Name]
(2α)-2-Hydroxy-12-methoxypicras-12-ene-1,11,16-trione [ACD/IUPAC Name]
(2α)-2-Hydroxy-12-méthoxypicras-12-ène-1,11,16-trione [French] [ACD/IUPAC Name]
26121-56-2 [RN]
Picras-12-ene-1,11,16-trione, 2-hydroxy-12-methoxy-, (2α)- [ACD/Index Name]
picrasin B
[26121-56-2] [RN]
MFCD20260962
Nigakilactone I

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 584.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.2±6.0 kJ/mol
    Flash Point: 205.3±23.6 °C
    Index of Refraction: 1.560
    Molar Refractivity: 95.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): 1.84
    ACD/BCF (pH 5.5): 14.71
    ACD/KOC (pH 5.5): 238.48
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.71
    ACD/KOC (pH 7.4): 238.48
    Polar Surface Area: 90 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 49.7±5.0 dyne/cm
    Molar Volume: 296.4±5.0 cm3

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