ChemSpider 2D Image | Ethyl {[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca-16,18-dien-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamate | C37H49NO6

Ethyl {[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamate

  • Molecular FormulaC37H49NO6
  • Average mass603.788 Da
  • Monoisotopic mass603.356018 Da
  • ChemSpider ID5158065

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

{[(1R,2S,5S,6S,9R,10R,15R)-17-Benzoyl-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-5-yl]méthyl}[(2R)-tétrahydro-2-furanylméthyl]carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[(5R,8R,9R,10R,13S,14S,17S)-7-benzoyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-3,17-dihydroxy-10,13-dimethyl-5,8-etheno-2H-cyclopenta[a]phenanthren-17-yl]methyl]-N-[[(2R)-tetrahyd ro-2-furanyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl {[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamate [ACD/IUPAC Name]
Ethyl-{[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamat [German] [ACD/IUPAC Name]
SES1_001660

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 168.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13074.84
ACD/KOC (pH 5.5): 30770.42
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13074.84
ACD/KOC (pH 7.4): 30770.42
Polar Surface Area: 96 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 478.2±5.0 cm3

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