ChemSpider 2D Image | (22E)-9-Hydroxyergosta-4,6,8(14),22-tetraene-3,15-dione | C28H38O3

(22E)-9-Hydroxyergosta-4,6,8(14),22-tetraene-3,15-dione

  • Molecular FormulaC28H38O3
  • Average mass422.599 Da
  • Monoisotopic mass422.282104 Da
  • ChemSpider ID28288788

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(22E)-9-Hydroxyergosta-4,6,8(14),22-tetraen-3,15-dion [German] [ACD/IUPAC Name]
(22E)-9-Hydroxyergosta-4,6,8(14),22-tetraene-3,15-dione [ACD/IUPAC Name]
(22E)-9-Hydroxyergosta-4,6,8(14),22-tétraène-3,15-dione [French] [ACD/IUPAC Name]
Ergosta-4,6,8(14),22-tetraene-3,15-dione, 9-hydroxy-, (22E)- [ACD/Index Name]
ganodermaside C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 317.8±26.6 °C
Index of Refraction: 1.568
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2884.16
ACD/KOC (pH 5.5): 10429.82
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2884.15
ACD/KOC (pH 7.4): 10429.81
Polar Surface Area: 54 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 379.5±5.0 cm3

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