ChemSpider 2D Image | (17alpha,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,5,24-trien-18-yl acetate | C30H40O8

(17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,5,24-trien-18-yl acetate

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID59004255

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,5,24-trien-18-yl acetate [ACD/IUPAC Name]
(17α,22R)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-2,5,24-trien-18-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (17α,22R)-14,17,20-trihydroxy-1,26-dioxo-22,26-époxyergosta-2,5,24-trién-18-yle [French] [ACD/IUPAC Name]
Ergosta-2,5,24-triene-1,26-dione, 18-(acetyloxy)-22,26-epoxy-14,17,20-trihydroxy-, (17α,22R)- [ACD/Index Name]
1-oxo-18-acetoxy-14α,17β,20S-trihydroxy-witha-1,5,24-trienolide
Physachenolide D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 228.5±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.63
ACD/KOC (pH 5.5): 883.13
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.63
ACD/KOC (pH 7.4): 883.12
Polar Surface Area: 130 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

Click to predict properties on the Chemicalize site


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