ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,16beta)-20-Oxo-16,17-epoxypregn-5-en-3-yl acetate | C23H32O4

(8ξ,9ξ,10ξ,13ξ,14ξ,16β)-20-Oxo-16,17-epoxypregn-5-en-3-yl acetate

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID21474595

  • defined stereocentres - 1 of 8 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,16β)-20-Oxo-16,17-epoxypregn-5-en-3-yl acetate [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16β)-20-Oxo-16,17-epoxypregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8ξ,9ξ,10ξ,13ξ,14ξ,16β)-20-oxo-16,17-époxyprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-, (8ξ,9ξ,10ξ,13ξ,14ξ,16β)- [ACD/Index Name]
(6S,4R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.0<2,7>.0<4,6>.0<11,16>]oc tadec-16-en-14-yl acetate
(6S,4R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.0<2,7>.0<4,6>.0<11,16>]octadec-16-en-14-yl acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 469.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 202.5±28.8 °C
Index of Refraction: 1.557
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 633.23
ACD/KOC (pH 5.5): 3523.38
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 633.23
ACD/KOC (pH 7.4): 3523.38
Polar Surface Area: 56 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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