ChemSpider 2D Image | amestolkolide D | C29H36O9

amestolkolide D

  • Molecular FormulaC29H36O9
  • Average mass528.591 Da
  • Monoisotopic mass528.235962 Da
  • ChemSpider ID71048819
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

[(2R,3aR,5aR,6aS,13aS,13bR,13cS)-2,5a,11,11,13a-Pentamethyl-1,5,9,13-tetraoxo-1,2,3a,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromen-7-yl]methy l 3-methylbutanoate [ACD/IUPAC Name]
[(2R,3aR,5aR,6aS,13aS,13bR,13cS)-2,5a,11,11,13a-Pentamethyl-1,5,9,13-tetraoxo-1,2,3a,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f]isochromen-7-yl]methy l-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de [(2R,3aR,5aR,6aS,13aS,13bR,13cS)-2,5a,11,11,13a-pentaméthyl-1,5,9,13-tétraoxo-1,2,3a,5,5a,6,6a,8,9,11,13,13a,13b,13c-tétradécahydrofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1,2-f] isochromén-7-yl]méthyle [French] [ACD/IUPAC Name]
amestolkolide D
Butanoic acid, 3-methyl-, [(2R,3aR,5aR,6aS,13aS,13bR,13cS)-1,2,3a,5,5a,6,6a,8,9,11,13,13a,13b,13c-tetradecahydro-2,5a,11,11,13a-pentamethyl-1,5,9,13-tetraoxofuro[4,3,2-ij]pyrano[4',3':4,5]cyclohepta[1 ,2-f][2]benzopyran-7-yl]methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 302.7±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.31
ACD/KOC (pH 5.5): 662.38
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.31
ACD/KOC (pH 7.4): 662.38
Polar Surface Area: 122 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 408.3±5.0 cm3

Click to predict properties on the Chemicalize site






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