ChemSpider 2D Image | (9xi,22E,24xi)-Ergosta-4,6,8(14),22-tetraen-3-one | C28H40O

(9ξ,22E,24ξ)-Ergosta-4,6,8(14),22-tetraen-3-one

  • Molecular FormulaC28H40O
  • Average mass392.617 Da
  • Monoisotopic mass392.307922 Da
  • ChemSpider ID28285504

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(9ξ,22E,24ξ)-Ergosta-4,6,8(14),22-tetraen-3-on [German] [ACD/IUPAC Name]
(9ξ,22E,24ξ)-Ergosta-4,6,8(14),22-tetraen-3-one [ACD/IUPAC Name]
(9ξ,22E,24ξ)-Ergosta-4,6,8(14),22-tétraén-3-one [French] [ACD/IUPAC Name]
Ergosta-4,6,8(14),22-tetraen-3-one, (9ξ,22E,24ξ)- [ACD/Index Name]
ergosta-4,6,8(14),22-tetraen-3-one [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 523.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 263.5±15.4 °C
Index of Refraction: 1.548
Molar Refractivity: 122.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 7.65
ACD/BCF (pH 5.5): 384505.25
ACD/KOC (pH 5.5): 346135.44
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 384505.25
ACD/KOC (pH 7.4): 346135.44
Polar Surface Area: 17 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 385.6±5.0 cm3

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