ChemSpider 2D Image | Ethyl {[(1R,2S,5S,6S,9R,10R,15R)-17-(2-furoyl)-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}(3-methoxypropyl)carbamate | C34H47NO7

Ethyl {[(1R,2S,5S,6S,9R,10R,15R)-17-(2-furoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}(3-methoxypropyl)carbamate

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID5157633

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

{[(1R,2S,5S,6S,9R,10R,15R)-17-(2-Furoyl)-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-5-yl]méthyl}(3-méthoxypropyl)carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[(5R,8R,9R,10R,13S,14S,17S)-7-(2-furanylcarbonyl)-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-(3- methoxypropyl)-, ethyl ester [ACD/Index Name]
Ethyl {[(1R,2S,5S,6S,9R,10R,15R)-17-(2-furoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}(3-methoxypropyl)carbamate [ACD/IUPAC Name]
Ethyl-{[(1R,2S,5S,6S,9R,10R,15R)-17-(2-furoyl)-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}(3-methoxypropyl)carbamat [German] [ACD/IUPAC Name]
SES1_001198

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2032.92
ACD/KOC (pH 5.5): 8119.88
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2032.92
ACD/KOC (pH 7.4): 8119.88
Polar Surface Area: 109 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 462.9±5.0 cm3

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