ChemSpider 2D Image | (3alpha,5xi,22S,25R)-3-Hydroxy-22,26-epoxylanost-8-en-26-one | C30H48O3

(3α,5ξ,22S,25R)-3-Hydroxy-22,26-epoxylanost-8-en-26-one

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID78436682

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,5ξ,22S,25R)-3-Hydroxy-22,26-epoxylanost-8-en-26-on [German] [ACD/IUPAC Name]
(3α,5ξ,22S,25R)-3-Hydroxy-22,26-epoxylanost-8-en-26-one [ACD/IUPAC Name]
(3α,5ξ,22S,25R)-3-Hydroxy-22,26-époxylanost-8-én-26-one [French] [ACD/IUPAC Name]
Lanost-8-en-26-one, 22,26-epoxy-3-hydroxy-, (3α,5ξ,22S,25R)- [ACD/Index Name]
Artabotryols A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 210.7±22.9 °C
Index of Refraction: 1.542
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 7.40
ACD/BCF (pH 5.5): 249532.52
ACD/KOC (pH 5.5): 254002.83
ACD/LogD (pH 7.4): 7.40
ACD/BCF (pH 7.4): 249532.52
ACD/KOC (pH 7.4): 254002.83
Polar Surface Area: 47 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

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