ChemSpider 2D Image | [4,9,13-Triacetoxy-8-(benzoyloxy)-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.0~1,12~.0~5,7~]hexadec-10-en-6-yl]methyl nicotinate | C39H43NO12

[4,9,13-Triacetoxy-8-(benzoyloxy)-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl]methyl nicotinate

  • Molecular FormulaC39H43NO12
  • Average mass717.758 Da
  • Monoisotopic mass717.278503 Da
  • ChemSpider ID3195854

More details:

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

[4,9,13-Triacetoxy-8-(benzoyloxy)-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl]methyl nicotinate [ACD/IUPAC Name]
[4,9,13-Triacetoxy-8-(benzoyloxy)-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl]methyl-nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, [2,7,10-tris(acetyloxy)-11-(benzoyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-1,3,6,9-tetramethyl-4-oxo-4a,7a-epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecen-1-yl]methyl ester [ACD/Index Name]
Nicotinate de [4,9,13-triacétoxy-8-(benzoyloxy)-3,6,10,14-tétraméthyl-2-oxo-16-oxatétracyclo[10.3.1.01,12.05,7]hexadéc-10-én-6-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 764.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.2±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 181.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13561.40
ACD/KOC (pH 5.5): 31544.44
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13623.26
ACD/KOC (pH 7.4): 31688.33
Polar Surface Area: 174 Å2
Polarizability: 71.9±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 536.7±5.0 cm3

Click to predict properties on the Chemicalize site


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