ChemSpider 2D Image | (1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-17-(4-methoxyphenyl)-2,4,7,7,10,14,19,20-octamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.1~5,9~]icosan-11-one | C32H50O9

(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-17-(4-methoxyphenyl)-2,4,7,7,10,14,19,20-octamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one

  • Molecular FormulaC32H50O9
  • Average mass578.734 Da
  • Monoisotopic mass578.345459 Da
  • ChemSpider ID10374942

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-17-(4-methoxyphenyl)-2,4,7,7,10,14,19,20-octamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-on [German] [ACD/IUPAC Name]
(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-17-(4-methoxyphenyl)-2,4,7,7,10,14,19,20-octamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one [ACD/IUPAC Name]
(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Éthyl-4,14-dihydroxy-17-(4-méthoxyphényl)-2,4,7,7,10,14,19,20-octaméthyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one [French] [ACD/IUPAC Name]
(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-17-(4-methoxyphenyl)-2,4,7,7,10,14,19,20-octamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one (non-preferred 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: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 214.3±25.0 °C
Index of Refraction: 1.480
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4298.56
ACD/KOC (pH 5.5): 13877.98
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4298.55
ACD/KOC (pH 7.4): 13877.94
Polar Surface Area: 113 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 543.5±3.0 cm3

Click to predict properties on the Chemicalize site


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