ChemSpider 2D Image | (6alpha,7alpha,9xi,13alpha,17alpha)-17-(4,5-Dihydro-3-furanyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate | C28H38O5

(6α,7α,9ξ,13α,17α)-17-(4,5-Dihydro-3-furanyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate

  • Molecular FormulaC28H38O5
  • Average mass454.598 Da
  • Monoisotopic mass454.271912 Da
  • ChemSpider ID24534538

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(6α,7α,9ξ,13α,17α)-17-(4,5-Dihydro-3-furanyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate [ACD/IUPAC Name]
(6α,7α,9ξ,13α,17α)-17-(4,5-Dihydro-3-furanyl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl-acetat [German] [ACD/IUPAC Name]
(6α,7α,9ξ,13α,17α)-17-(4,5-Dihydrofuran-3-yl)-6-hydroxy-4,4,8-trimethyl-3-oxoandrosta-1,14-dien-7-yl acetate
Acétate de (6α,7α,9ξ,13α,17α)-17-(4,5-dihydro-3-furanyl)-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-(4,5-dihydro-3-furanyl)-6-hydroxy-4,4,8-trimethyl-, (6α,7α,9ξ,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: 565.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 181.8±23.6 °C
Index of Refraction: 1.576
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 832.73
ACD/KOC (pH 5.5): 4286.45
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 832.73
ACD/KOC (pH 7.4): 4286.44
Polar Surface Area: 73 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site


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