ChemSpider 2D Image | (4R,9beta)-2-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secoandrosta-2,5-diene-1,11,16-trione | C22H28O4

(4R,9β)-2-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secoandrosta-2,5-diene-1,11,16-trione

  • Molecular FormulaC22H28O4
  • Average mass356.455 Da
  • Monoisotopic mass356.198761 Da
  • ChemSpider ID23314837

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,9β)-2-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secoandrosta-2,5-dien-1,11,16-trion [German] [ACD/IUPAC Name]
(4R,9β)-2-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secoandrosta-2,5-diene-1,11,16-trione [ACD/IUPAC Name]
(4R,9β)-2-Hydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécoandrosta-2,5-diène-1,11,16-trione [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11,16-trione, 2-hydroxy-4,4,9,14-tetramethyl-, (9β,10α)- [ACD/Index Name]
2-hydroxy-20,21,22,23,24,25,26,27-octanorcucurbita-1,5-dien-3,11,16-trione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 286.7±26.6 °C
Index of Refraction: 1.578
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.45
ACD/KOC (pH 5.5): 624.21
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 52.71
ACD/KOC (pH 7.4): 582.84
Polar Surface Area: 71 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 292.1±5.0 cm3

Click to predict properties on the Chemicalize site


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