ChemSpider 2D Image | (16beta,22S,23R,25S)-3,26-Dioxo-16,23:23,26-diepoxyergosta-1,4-dien-22-yl acetate | C30H40O6

(16β,22S,23R,25S)-3,26-Dioxo-16,23:23,26-diepoxyergosta-1,4-dien-22-yl acetate

  • Molecular FormulaC30H40O6
  • Average mass496.635 Da
  • Monoisotopic mass496.282501 Da
  • ChemSpider ID30771191

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(16β,22S,23R,25S)-3,26-Dioxo-16,23:23,26-diepoxyergosta-1,4-dien-22-yl acetate [ACD/IUPAC Name]
(16β,22S,23R,25S)-3,26-Dioxo-16,23:23,26-diepoxyergosta-1,4-dien-22-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (16β,22S,23R,25S)-3,26-dioxo-16,23:23,26-diépoxyergosta-1,4-dién-22-yle [French] [ACD/IUPAC Name]
Ergosta-1,4-diene-3,26-dione, 22-(acetyloxy)-16,23:23,26-diepoxy-, (16β,22S,23R,25S)- [ACD/Index Name]
sinubrasolide F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 263.0±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2344.33
ACD/KOC (pH 5.5): 8991.99
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2344.33
ACD/KOC (pH 7.4): 8991.99
Polar Surface Area: 79 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 408.3±5.0 cm3

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