ChemSpider 2D Image | fomlactone A | C33H50O5

fomlactone A

  • Molecular FormulaC33H50O5
  • Average mass526.747 Da
  • Monoisotopic mass526.365845 Da
  • ChemSpider ID9246622

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,12β,23S,24S,25S)-24-Methyl-26-oxo-12,23:23,26-diepoxylanost-8-en-3-yl acetate [ACD/IUPAC Name]
(3α,12β,23S,24S,25S)-24-Methyl-26-oxo-12,23:23,26-diepoxylanost-8-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,12β,23S,24S,25S)-24-méthyl-26-oxo-12,23:23,26-diépoxylanost-8-én-3-yle [French] [ACD/IUPAC Name]
fomlactone A
Lanost-8-en-26-one, 3-(acetyloxy)-12,23:23,26-diepoxy-24-methyl-, (3α,12β,23S,24S,25S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 246.2±30.2 °C
Index of Refraction: 1.546
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 277090.84
ACD/KOC (pH 5.5): 273780.94
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 277090.84
ACD/KOC (pH 7.4): 273780.94
Polar Surface Area: 62 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

Click to predict properties on the Chemicalize site


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