Found 13 results

Search term: MF = 'C_{37}H_{55}NO_{6}'
ChemSpider 2D Image | Ethyl {[(2S,5S,6S,13S)-17-(cyclohexylcarbonyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.0~2,6~]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamate | C37H55NO6

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

  • Molecular FormulaC37H55NO6
  • Average mass609.836 Da
  • Monoisotopic mass609.402954 Da
  • ChemSpider ID5159578

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{[(2S,5S,6S,13S)-17-(Cyclohexylcarbonyl)-5,13-dihydroxy-6,10-diméthyltricyclo[13.2.2.02,6]nonadéca-1(17),9,15,18-tétraén-5-yl]méthyl}[(2R)-tétrahydro-2-furanylméthyl]carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[(1S,3aS,9S,15aS)-5-(cyclohexylcarbonyl)-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-[[(2R)-tetrahydro-2 -furanyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl {[(2S,5S,6S,13S)-17-(cyclohexylcarbonyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamate [ACD/IUPAC Name]
Ethyl-{[(2S,5S,6S,13S)-17-(cyclohexylcarbonyl)-5,13-dihydroxy-6,10-dimethyltricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraen-5-yl]methyl}[(2R)-tetrahydro-2-furanylmethyl]carbamat [German] [ACD/IUPAC Name]
SES1_003225

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.2±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 121569.75
ACD/KOC (pH 5.5): 151808.42
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 121569.75
ACD/KOC (pH 7.4): 151808.42
Polar Surface Area: 96 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 543.0±3.0 cm3

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