ChemSpider 2D Image | (1aR,5aR,5bS,8R,8aS,9aS,9bS,9cS)-8-Acetyl-4-chloro-8a,9b-dimethyl-2-oxo-1a,2,5a,5b,6,7,8,8a,9,9a,9b,9c-dodecahydro-1H-cyclopropa[a]pentaleno[1,2-h]naphthalen-8-yl acetate | C23H27ClO4

(1aR,5aR,5bS,8R,8aS,9aS,9bS,9cS)-8-Acetyl-4-chloro-8a,9b-dimethyl-2-oxo-1a,2,5a,5b,6,7,8,8a,9,9a,9b,9c-dodecahydro-1H-cyclopropa[a]pentaleno[1,2-h]naphthalen-8-yl acetate

  • Molecular FormulaC23H27ClO4
  • Average mass402.911 Da
  • Monoisotopic mass402.159790 Da
  • ChemSpider ID35308245

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,5aR,5bS,8R,8aS,9aS,9bS,9cS)-8-Acetyl-4-chlor-8a,9b-dimethyl-2-oxo-1a,2,5a,5b,6,7,8,8a,9,9a,9b,9c-dodecahydro-1H-cyclopropa[a]pentaleno[1,2-h]naphthalin-8-yl-acetat [German] [ACD/IUPAC Name]
(1aR,5aR,5bS,8R,8aS,9aS,9bS,9cS)-8-Acetyl-4-chloro-8a,9b-dimethyl-2-oxo-1a,2,5a,5b,6,7,8,8a,9,9a,9b,9c-dodecahydro-1H-cyclopropa[a]pentaleno[1,2-h]naphthalen-8-yl acetate [ACD/IUPAC Name]
2H-Cyclopropa[a]pentaleno[1,2-h]naphthalen-2-one, 8-acetyl-8-(acetyloxy)-4-chloro-1,1a,5a,5b,6,7,8,8a,9,9a,9b,9c-dodecahydro-8a,9b-dimethyl-, (1aR,5aR,5bS,8R,8aS,9aS,9bS,9cS)- [ACD/Index Name]
Acétate de (1aR,5aR,5bS,8R,8aS,9aS,9bS,9cS)-8-acétyl-4-chloro-8a,9b-diméthyl-2-oxo-1a,2,5a,5b,6,7,8,8a,9,9a,9b,9c-dodécahydro-1H-cyclopropa[a]pentaléno[1,2-h]naphtalén-8-yle [French] [ACD/IUPAC Name]
427-51-0 [RN]
androcur [Trade name]
Cyprostat [Trade name]
Cyprostat;Androcur
Cyproterone (acetate)
Cyproterone acetate [BAN] [INN] [JAN] [USAN] [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 513.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 177.5±29.1 °C
Index of Refraction: 1.587
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.43
ACD/KOC (pH 5.5): 1253.38
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.43
ACD/KOC (pH 7.4): 1253.38
Polar Surface Area: 60 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 310.9±5.0 cm3

Click to predict properties on the Chemicalize site


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