ChemSpider 2D Image | (5beta,6beta,14xi,17alpha,22S)-14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione | C28H38O7

(5β,6β,14ξ,17α,22S)-14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID58817140

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(5β,6β,14ξ,17α,22S)-14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(5β,6β,14ξ,17α,22S)-14,17,20-Trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(5β,6β,14ξ,17α,22S)-14,17,20-Trihydroxy-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-14,17,20-trihydroxy-, (5β,6β,14ξ,17α,22S)- [ACD/Index Name]
38254-15-8 [RN]
withanolide E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 226.5±25.0 °C
Index of Refraction: 1.617
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.89
ACD/KOC (pH 5.5): 204.79
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.89
ACD/KOC (pH 7.4): 204.79
Polar Surface Area: 117 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 363.1±5.0 cm3

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