ChemSpider 2D Image | (1R,3R,3bR,8bS,10aS)-1-Acetyl-5-chloro-3-hydroxy-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate | C24H29ClO5

(1R,3R,3bR,8bS,10aS)-1-Acetyl-5-chloro-3-hydroxy-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate

  • Molecular FormulaC24H29ClO5
  • Average mass432.937 Da
  • Monoisotopic mass432.170349 Da
  • ChemSpider ID29790127
  • defined stereocentres - 5 of 9 defined stereocentres


More details:






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

(1R,3R,3bR,8bS,10aS)-1-Acetyl-5-chlor-3-hydroxy-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl-acetat [German] [ACD/IUPAC Name]
(1R,3R,3bR,8bS,10aS)-1-Acetyl-5-chloro-3-hydroxy-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate [ACD/IUPAC Name]
Acétate de (1R,3R,3bR,8bS,10aS)-1-acétyl-5-chloro-3-hydroxy-8b,10a-diméthyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tétradécahydrocyclopenta[a]cyclopropa[g]phénanthrén-1-yle [French] [ACD/IUPAC Name]
Cyclopenta[a]cyclopropa[g]phenanthren-7(1H)-one, 1-acetyl-1-(acetyloxy)-5-chloro-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydro-3-hydroxy-8b,10a-dimethyl-, (1R,3R,3bR,8bS,10aS)- [ACD/Index Name]
(1b,2b,15b)-17-(Acetyloxy)-6-chloro-1,2-dihydro-15-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione
15b-Hydroxy cyproterone acetate
65423-26-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.66
ACD/KOC (pH 5.5): 458.39
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.66
ACD/KOC (pH 7.4): 458.39
Polar Surface Area: 81 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 325.0±5.0 cm3

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