ChemSpider 2D Image | (5alpha,7alpha,13alpha,14beta,15beta,17alpha)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl benzoate | C33H36O6

(5α,7α,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl benzoate

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID26346108
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(5α,7α,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl benzoate [ACD/IUPAC Name]
(5α,7α,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl-benzoat [German] [ACD/IUPAC Name]
Androst-1-ene-3,16-dione, 7-(benzoyloxy)-14,15-epoxy-17-(3-furanyl)-4,4,8-trimethyl-, (5α,7α,13α,14β,15β,17α)- [ACD/Index Name]
Benzoate de (5α,7α,13α,14β,15β,17α)-17-(3-furyl)-4,4,8-triméthyl-3,16-dioxo-14,15-époxyandrost-1-én-7-yle [French] [ACD/IUPAC Name]
(5α,7α,13α,14β,15β,17α)-17-(furan-3-yl)-4,4,8-trimethyl-3,16-dioxo-14,15-epoxyandrost-1-en-7-yl benzoate
7-deacetyl-7-benzoylepoxyazadiradione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3533.28
ACD/KOC (pH 5.5): 12060.92
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3533.28
ACD/KOC (pH 7.4): 12060.92
Polar Surface Area: 86 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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