ChemSpider 2D Image | (3beta,22R,25S)-3-Hydroxy-22-methyl-22,26-epoxylanost-8-en-26-one | C31H50O3

(3β,22R,25S)-3-Hydroxy-22-methyl-22,26-epoxylanost-8-en-26-one

  • Molecular FormulaC31H50O3
  • Average mass470.727 Da
  • Monoisotopic mass470.376007 Da
  • ChemSpider ID78438299

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,22R,25S)-3-Hydroxy-22-methyl-22,26-epoxylanost-8-en-26-on [German] [ACD/IUPAC Name]
(3β,22R,25S)-3-Hydroxy-22-methyl-22,26-epoxylanost-8-en-26-one [ACD/IUPAC Name]
(3β,22R,25S)-3-Hydroxy-22-méthyl-22,26-époxylanost-8-én-26-one [French] [ACD/IUPAC Name]
Lanost-8-en-26-one, 22,26-epoxy-3-hydroxy-22-methyl-, (3β,22R,25S)- [ACD/Index Name]
Astrakurkurone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 209.8±22.9 °C
Index of Refraction: 1.541
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 552934.75
ACD/KOC (pH 5.5): 448928.16
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 552934.75
ACD/KOC (pH 7.4): 448928.16
Polar Surface Area: 47 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 439.8±5.0 cm3

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