Found 8 results

Search term: MF = 'C_{34}H_{49}NO_{2}'
ChemSpider 2D Image | (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-Dimethyl-1-(2,4,6-triisopropylbenzoyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[i]phenanthridin-7-one | C34H49NO2

(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-Dimethyl-1-(2,4,6-triisopropylbenzoyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[i]phenanthridin-7-one

  • Molecular FormulaC34H49NO2
  • Average mass503.758 Da
  • Monoisotopic mass503.376343 Da
  • ChemSpider ID8159171

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-Dimethyl-1-(2,4,6-triisopropylbenzoyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[i]phenanthridin-7-on [German] [ACD/IUPAC Name]
(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-Dimethyl-1-(2,4,6-triisopropylbenzoyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[i]phenanthridin-7-one [ACD/IUPAC Name]
(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-Diméthyl-1-(2,4,6-triisopropylbenzoyl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tétradécahydro-7H-cyclopenta[i]phénanthridin-7-one [French] [ACD/IUPAC Name]
7H-Cyclopenta[i]phenanthridin-7-one, 1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-9a,11a-dimethyl-1-[2,4,6-tris(1-methylethyl)benzoyl]-, (1S,3aS,3bS,9aR,9bS,11aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 129.4±31.7 °C
Index of Refraction: 1.561
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 98024.13
ACD/KOC (pH 5.5): 107395.09
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 190304.05
ACD/KOC (pH 7.4): 208496.81
Polar Surface Area: 46 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 468.4±5.0 cm3

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