ChemSpider 2D Image | 2-Methyl-2-propanyl [(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]carbamate | C34H55NO3

2-Methyl-2-propanyl [(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]carbamate

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID110804367
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

[(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropényl-5a,5b,8,8,11a-pentaméthyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysén-3a-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-eicosahydro-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-9-oxo-3aH-cyclopenta[a]chrysen-3a-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.6±24.3 °C
Index of Refraction: 1.533
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.77
ACD/LogD (pH 5.5): 8.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1835856.63
ACD/LogD (pH 7.4): 8.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1835844.50
Polar Surface Area: 55 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 497.5±5.0 cm3

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