ChemSpider 2D Image | Ethyl {[17-benzoyl-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.0~2,6~]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}(tetrahydro-2-furanylmethyl)carbamate | C37H49NO6

Ethyl {[17-benzoyl-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}(tetrahydro-2-furanylmethyl)carbamate

  • Molecular FormulaC37H49NO6
  • Average mass603.788 Da
  • Monoisotopic mass603.356018 Da
  • ChemSpider ID3545609

More details:

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

{[17-Benzoyl-5,13-dihydroxy-6,10-diméthyltricyclo[13.2.2.02,6]nonadéca-1(17),9,15,18-tétraén-5-yl]méthyl}(tétrahydro-2-furanylméthyl)carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(5-benzoyl-2,3,3a,8,9,10,11,14,15,15a-decahydro-1,9-dihydroxy-12,15a-dimethyl-4,7-etheno-1H-cyclopentacyclotetradecen-1-yl)methyl]-N-[(tetrahydro-2-furanyl)methyl]-, ethyl ester [ACD/Index Name]
Ethyl {[17-benzoyl-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}(tetrahydro-2-furanylmethyl)carbamate [ACD/IUPAC Name]
Ethyl-{[17-benzoyl-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}(tetrahydro-2-furanylmethyl)carbamat [German] [ACD/IUPAC 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: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 171.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 44986.66
ACD/KOC (pH 5.5): 74517.81
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 44986.66
ACD/KOC (pH 7.4): 74517.81
Polar Surface Area: 96 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 527.1±3.0 cm3

Click to predict properties on the Chemicalize site


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