ChemSpider 2D Image | (5alpha,7alpha,13alpha,17alpha)-17-(3-Furyl)-4,4,8-trimethyl-3,6-dioxoandrosta-1,14-dien-7-yl acetate | C28H34O5

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

  • Molecular FormulaC28H34O5
  • Average mass450.567 Da
  • Monoisotopic mass450.240631 Da
  • ChemSpider ID21182694

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.4±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2750.78
ACD/KOC (pH 5.5): 10082.27
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2750.78
ACD/KOC (pH 7.4): 10082.27
Polar Surface Area: 74 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 375.6±5.0 cm3

Click to predict properties on the Chemicalize site


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