ChemSpider 2D Image | thaixylomolin A | C27H34O8

thaixylomolin A

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID29784908

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
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(1aS,4S,4aS,7R,8R,8aR)-4-(3-Furyl)-4a,8-diméthyl-2-oxo-7-[(1R,5R,8R)-2,2,8-triméthyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]octahydrooxiréno[d]isochromène-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (1aS,4S,4aS,7R,8R,8aR)-4-(3-furyl)-4a,8-dimethyl-2-oxo-7-[(1R,5R,8R)-2,2,8-trimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]octahydrooxireno[d]isochromene-8-carboxylate [ACD/IUPAC Name]
Methyl-(1aS,4S,4aS,7R,8R,8aR)-4-(3-furyl)-4a,8-dimethyl-2-oxo-7-[(1R,5R,8R)-2,2,8-trimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]octahydrooxireno[d]isochromen-8-carboxylat [German] [ACD/IUPAC Name]
Oxireno[d][2]benzopyran-8-carboxylic acid, 4-(3-furanyl)octahydro-4a,8-dimethyl-2-oxo-7-[(1R,5R,8R)-2,2,8-trimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-, methyl ester, (1aS,4S,4aS,7R,8R,8aR)- [ACD/Index Name]
thaixylomolin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.70
ACD/KOC (pH 5.5): 511.30
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.70
ACD/KOC (pH 7.4): 511.30
Polar Surface Area: 105 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 373.2±5.0 cm3

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