ChemSpider 2D Image | (5alpha,6beta,14beta,15alpha,16beta,17alpha,22R)-5,6,14-Trihydroxy-1,26-dioxo-16,17:22,26-diepoxyergosta-2,24-dien-15-yl acetate | C30H40O9

(5α,6β,14β,15α,16β,17α,22R)-5,6,14-Trihydroxy-1,26-dioxo-16,17:22,26-diepoxyergosta-2,24-dien-15-yl acetate

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID8432342

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5α,6β,14β,15α,16β,17α,22R)-5,6,14-Trihydroxy-1,26-dioxo-16,17:22,26-diepoxyergosta-2,24-dien-15-yl acetate [ACD/IUPAC Name]
(5α,6β,14β,15α,16β,17α,22R)-5,6,14-Trihydroxy-1,26-dioxo-16,17:22,26-diepoxyergosta-2,24-dien-15-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,6β,14β,15α,16β,17α,22R)-5,6,14-trihydroxy-1,26-dioxo-16,17:22,26-diépoxyergosta-2,24-dién-15-yle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 15-(acetyloxy)-16,17:22,26-diepoxy-5,6,14-trihydroxy-, (5α,6β,14β,15α,16β,17α,22R)- [ACD/Index Name]
15α-acetoxy-16β,17β-epoxy-5α-6β,14β,trihydroxy-1-oxo-witha2,24-dien-26,22-olide
Physagulin 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: 698.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 225.5±25.0 °C
Index of Refraction: 1.608
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.38
ACD/KOC (pH 5.5): 198.45
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.38
ACD/KOC (pH 7.4): 198.45
Polar Surface Area: 143 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

Click to predict properties on the Chemicalize site


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