ChemSpider 2D Image | (5alpha,6alpha,7alpha,13alpha,17alpha)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate | C28H36O5

(5α,6α,7α,13α,17α)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate

  • Molecular FormulaC28H36O5
  • Average mass452.582 Da
  • Monoisotopic mass452.256287 Da
  • ChemSpider ID30825511
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(5α,6α,7α,13α,17α)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
(5α,6α,7α,13α,17α)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,6α,7α,13α,17α)-17-(3-furyl)-6-hydroxy-4,4,8-triméthyl-3-oxoandrosta-1,14-dién-7-yle [French] [ACD/IUPAC Name]
Androsta-1,14-dien-3-one, 7-(acetyloxy)-17-(3-furanyl)-6-hydroxy-4,4,8-trimethyl-, (5α,6α,7α,13α,17α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2883.76
ACD/KOC (pH 5.5): 10428.79
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2883.76
ACD/KOC (pH 7.4): 10428.79
Polar Surface Area: 77 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 376.7±5.0 cm3

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