ChemSpider 2D Image | (1beta,10xi,22E,24R)-9-Hydroxy-1,24-dimethyl-19-norcholesta-4,6,8(14),22-tetraen-3-one | C28H40O2

(1β,10ξ,22E,24R)-9-Hydroxy-1,24-dimethyl-19-norcholesta-4,6,8(14),22-tetraen-3-one

  • Molecular FormulaC28H40O2
  • Average mass408.616 Da
  • Monoisotopic mass408.302826 Da
  • ChemSpider ID28288866

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1β,10ξ,22E,24R)-9-Hydroxy-1,24-dimethyl-19-norcholesta-4,6,8(14),22-tetraen-3-on [German] [ACD/IUPAC Name]
(1β,10ξ,22E,24R)-9-Hydroxy-1,24-dimethyl-19-norcholesta-4,6,8(14),22-tetraen-3-one [ACD/IUPAC Name]
(1β,10ξ,22E,24R)-9-Hydroxy-1,24-diméthyl-19-norcholesta-4,6,8(14),22-tétraén-3-one [French] [ACD/IUPAC Name]
Estra-4,6,8(14)-trien-3-one, 9-hydroxy-1-methyl-17-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (1β,10ξ,17β)- [ACD/Index Name]
ganodermaside D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 235.8±22.7 °C
Index of Refraction: 1.560
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61022.84
ACD/KOC (pH 5.5): 92690.82
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61022.84
ACD/KOC (pH 7.4): 92690.82
Polar Surface Area: 37 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 383.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement