ChemSpider 2D Image | (3aS,5aS,5bR,8S,9aR,10aR,11aR,11bS)-10,10-Dichloro-3a,5b-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]cyclopropa[k]phenanthren-8-yl acetate | C22H30Cl2O3

(3aS,5aS,5bR,8S,9aR,10aR,11aR,11bS)-10,10-Dichloro-3a,5b-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]cyclopropa[k]phenanthren-8-yl acetate

  • Molecular FormulaC22H30Cl2O3
  • Average mass413.378 Da
  • Monoisotopic mass412.157196 Da
  • ChemSpider ID62932245

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3aS,5aS,5bR,8S,9aR,10aR,11aR,11bS)-10,10-Dichlor-3a,5b-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]cyclopropa[k]phenanthren-8-yl-acetat [German] [ACD/IUPAC Name]
(3aS,5aS,5bR,8S,9aR,10aR,11aR,11bS)-10,10-Dichloro-3a,5b-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]cyclopropa[k]phenanthren-8-yl acetate [ACD/IUPAC Name]
3H-Cyclopenta[a]cyclopropa[k]phenanthren-3-one, 8-(acetyloxy)-10,10-dichlorohexadecahydro-3a,5b-dimethyl-, (3aS,5aS,5bR,8S,9aR,10aR,11aR,11bS)- [ACD/Index Name]
Acétate de (3aS,5aS,5bR,8S,9aR,10aR,11aR,11bS)-10,10-dichloro-3a,5b-diméthyl-3-oxohexadécahydro-1H-cyclopenta[a]cyclopropa[k]phénanthrén-8-yle [French] [ACD/IUPAC Name]
84412-90-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 497.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 167.7±27.7 °C
Index of Refraction: 1.565
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1255.11
ACD/KOC (pH 5.5): 5749.57
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1255.11
ACD/KOC (pH 7.4): 5749.57
Polar Surface Area: 43 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 323.3±5.0 cm3

Click to predict properties on the Chemicalize site


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