ChemSpider 2D Image | (1R,3aS,3bR,7aR,8aS,8bS,8cR,10aS)-1-Acetyl-5-chloro-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 | C24H29ClO4

(1R,3aS,3bR,7aR,8aS,8bS,8cR,10aS)-1-Acetyl-5-chloro-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 FormulaC24H29ClO4
  • Average mass416.938 Da
  • Monoisotopic mass416.175446 Da
  • ChemSpider ID62294533

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,3bR,7aR,8aS,8bS,8cR,10aS)-1-Acetyl-5-chlor-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,3aS,3bR,7aR,8aS,8bS,8cR,10aS)-1-Acetyl-5-chloro-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,3aS,3bR,7aR,8aS,8bS,8cR,10aS)-1-acétyl-5-chloro-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-8b,10a-dimethyl-, (1R,3aS,3bR,7aR,8aS,8bS,8cR,10aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 525.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 177.6±29.1 °C
Index of Refraction: 1.582
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.91
ACD/KOC (pH 5.5): 2223.74
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.91
ACD/KOC (pH 7.4): 2223.74
Polar Surface Area: 60 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 327.1±5.0 cm3

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