ChemSpider 2D Image | Methyl (4alpha,7alpha,10xi,13xi,17xi,20xi)-7-acetoxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oate | C32H46O6

Methyl (4α,7α,10ξ,13ξ,17ξ,20ξ)-7-acetoxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oate

  • Molecular FormulaC32H46O6
  • Average mass526.704 Da
  • Monoisotopic mass526.329468 Da
  • ChemSpider ID78445608

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(4α,7α,10ξ,13ξ,17ξ,20ξ)-7-Acétoxy-4-méthyl-3,11-dioxoergosta-8,24(28)-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-26-oic acid, 7-(acetyloxy)-4-methyl-3,11-dioxo-, methyl ester, (4α,7α,10ξ,13ξ,17ξ,20ξ)- [ACD/Index Name]
Methyl (4α,7α,10ξ,13ξ,17ξ,20ξ)-7-acetoxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oate [ACD/IUPAC Name]
Methyl-(4α,7α,10ξ,13ξ,17ξ,20ξ)-7-acetoxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oat [German] [ACD/IUPAC Name]
methyl antcinate G

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 253.5±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11597.83
ACD/KOC (pH 5.5): 28240.32
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11597.83
ACD/KOC (pH 7.4): 28240.32
Polar Surface Area: 87 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 468.8±5.0 cm3

Click to predict properties on the Chemicalize site


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