ChemSpider 2D Image | (5beta,6beta,17alpha,22R)-14,17,20-Trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate | C30H40O9

(5β,6β,17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID59002989

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5β,6β,17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl acetate [ACD/IUPAC Name]
(5β,6β,17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-18-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,6β,17α,22R)-14,17,20-trihydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-dién-18-yle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 18-(acetyloxy)-5,6:22,26-diepoxy-14,17,20-trihydroxy-, (5β,6β,17α,22R)- [ACD/Index Name]
1-oxo-5β,6β-epoxy--18-acetoxy-14α,17β,20S-trihydroxy-witha-1,24-dienolide
Physachenolide C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 234.4±26.4 °C
Index of Refraction: 1.611
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.43
ACD/KOC (pH 5.5): 173.39
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.43
ACD/KOC (pH 7.4): 173.39
Polar Surface Area: 143 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

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