ChemSpider 2D Image | Q4K0SC8TFY | C23H27ClO2

Q4K0SC8TFY

  • Molecular FormulaC23H27ClO2
  • Average mass370.912 Da
  • Monoisotopic mass370.169952 Da
  • ChemSpider ID32700789

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2aS,3aR,3bS,3cS,5aS,5bS,6aS,7aS,7bS)-5b-Acetyl-9-chlor-3b,5a-dimethyl-2a,3,3a,3b,3c,4,5,5a,5b,6,6a,7,7a,7b-tetradecahydro-2H-cyclopropa[3,4]cyclopenta[1,2-a]cyclopropa[g]phenanthren-2-on [German] [ACD/IUPAC Name]
(2aS,3aR,3bS,3cS,5aS,5bS,6aS,7aS,7bS)-5b-Acetyl-9-chloro-3b,5a-dimethyl-2a,3,3a,3b,3c,4,5,5a,5b,6,6a,7,7a,7b-tetradecahydro-2H-cyclopropa[3,4]cyclopenta[1,2-a]cyclopropa[g]phenanthren-2-one [ACD/IUPAC Name]
(2aS,3aR,3bS,3cS,5aS,5bS,6aS,7aS,7bS)-5b-Acétyl-9-chloro-3b,5a-diméthyl-2a,3,3a,3b,3c,4,5,5a,5b,6,6a,7,7a,7b-tétradécahydro-2H-cyclopropa[3,4]cyclopenta[1,2-a]cyclopropa[g]phénanthrén-2-one [French] [ACD/IUPAC Name]
2H-Cyclopropa[3,4]cyclopenta[1,2-a]cyclopropa[g]phenanthren-2-one, 5b-acetyl-9-chloro-2a,3,3a,3b,3c,4,5,5a,5b,6,6a,7,7a,7b-tetradecahydro-3b,5a-dimethyl-, (2aS,3aR,3bS,3cS,5aS,5bS,6aS,7aS,7bS)- [ACD/Index Name]
Q4K0SC8TFY
GESTACLONE
UNII:Q4K0SC8TFY
UNII-Q4K0SC8TFY

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

2814 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 206.8±29.3 °C
Index of Refraction: 1.611
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 626.97
ACD/KOC (pH 5.5): 3498.41
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 626.97
ACD/KOC (pH 7.4): 3498.41
Polar Surface Area: 34 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 289.9±5.0 cm3

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