ChemSpider 2D Image | (4beta,5beta,6beta,9xi,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione | C28H38O6

(4β,5β,6β,9ξ,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione

  • Molecular FormulaC28H38O6
  • Average mass470.598 Da
  • Monoisotopic mass470.266846 Da
  • ChemSpider ID23014384

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(4β,5β,6β,9ξ,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(4β,5β,6β,9ξ,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(4β,5β,6β,9ξ,22R)-4,27-Dihydroxy-5,6:22,26-diépoxyergosta-2,24-diène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 5,6:22,26-diepoxy-4,27-dihydroxy-, (4β,5β,6β,9ξ,22R)- [ACD/Index Name]
(4b,5b,6b,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid d-lactone
[5119-48-2] [RN]
5119-48-2 [RN]
GNF-PF-105
KE7288500
Withaferin A
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Biology Tocris Bioscience 2816
      Cytokine and NF-kB Signaling Tocris Bioscience 2816
      Inhibits NF-?B activation Tocris Bioscience 2816
      Inhibits NF-kappaB activation Tocris Bioscience 2816
      NF-kB/IkB Tocris Bioscience 2816
      Signal Transduction Tocris Bioscience 2816
      Steroid lactone that displays anti-inflammatory, antitumor and antiangiogenic activity. Inhibits endothelial cells (HUVEC) sprouting in vitro (IC50 = 12 nM) and in vivo. Prevents NF-?B activation by inhibiting activation of IKK?. Also inhibits chymotrypsin-like activity of the 20S proteasome. Tocris Bioscience 2816
      Steroid lactone that displays anti-inflammatory, antitumor and antiangiogenic activity. Inhibits endothelial cells (HUVEC) sprouting in vitro (IC50 = 12 nM) and in vivo. Prevents NF-kappaB activation by inhibiting activation of IKKbeta. Also inhibits chymotrypsin-like activity of the 20S proteasome. Tocris Bioscience 2816

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.3±6.0 kJ/mol
Flash Point: 226.7±25.0 °C
Index of Refraction: 1.599
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 196.96
ACD/KOC (pH 5.5): 1527.29
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.96
ACD/KOC (pH 7.4): 1527.29
Polar Surface Area: 96 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


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