ChemSpider 2D Image | (3alpha,16alpha)-3-Hydroxy-24-methyl-26-oxo-16,23:23,26-diepoxylanosta-8,24-dien-28-al | C31H44O5

(3α,16α)-3-Hydroxy-24-methyl-26-oxo-16,23:23,26-diepoxylanosta-8,24-dien-28-al

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID58919183

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,16α)-3-Hydroxy-24-methyl-26-oxo-16,23:23,26-diepoxylanosta-8,24-dien-28-al [German] [ACD/IUPAC Name]
(3α,16α)-3-Hydroxy-24-methyl-26-oxo-16,23:23,26-diepoxylanosta-8,24-dien-28-al [ACD/IUPAC Name]
(3α,16α)-3-Hydroxy-24-méthyl-26-oxo-16,23:23,26-diépoxylanosta-8,24-dién-28-al [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-28-al, 16,23:23,26-diepoxy-3-hydroxy-24-methyl-26-oxo-, (3α,16α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 201.4±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14002.40
ACD/KOC (pH 5.5): 32317.63
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14002.40
ACD/KOC (pH 7.4): 32317.63
Polar Surface Area: 73 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

Click to predict properties on the Chemicalize site


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