ChemSpider 2D Image | Methyl [(1aR,3S,3aR,4R,4aR,5aS,9R,9aS,9bR,10aS)-4-acetoxy-3-(3-furyl)-3a,8,8,9a-tetramethyl-10-methylene-7-oxotetradecahydrooxireno[1,7a]indeno[5,6-b][1]benzofuran-9-yl]acetate | C29H36O8

Methyl [(1aR,3S,3aR,4R,4aR,5aS,9R,9aS,9bR,10aS)-4-acetoxy-3-(3-furyl)-3a,8,8,9a-tetramethyl-10-methylene-7-oxotetradecahydrooxireno[1,7a]indeno[5,6-b][1]benzofuran-9-yl]acetate

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID30825500

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1aR,3S,3aR,4R,4aR,5aS,9R,9aS,9bR,10aS)-4-Acétoxy-3-(3-furyl)-3a,8,8,9a-tétraméthyl-10-méthylène-7-oxotétradécahydrooxiréno[1,7a]indéno[5,6-b][1]benzofuran-9-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [(1aR,3S,3aR,4R,4aR,5aS,9R,9aS,9bR,10aS)-4-acetoxy-3-(3-furyl)-3a,8,8,9a-tetramethyl-10-methylene-7-oxotetradecahydrooxireno[1,7a]indeno[5,6-b][1]benzofuran-9-yl]acetate [ACD/IUPAC Name]
Methyl-[(1aR,3S,3aR,4R,4aR,5aS,9R,9aS,9bR,10aS)-4-acetoxy-3-(3-furyl)-3a,8,8,9a-tetramethyl-10-methylen-7-oxotetradecahydrooxireno[1,7a]indeno[5,6-b][1]benzofuran-9-yl]acetat [German] [ACD/IUPAC Name]
Oxireno[1,7a]indeno[5,6-b]benzofuran-9-acetic acid, 4-(acetyloxy)-3-(3-furanyl)tetradecahydro-3a,8,8,9a-tetramethyl-10-methylene-7-oxo-, methyl ester, (1aR,3S,3aR,4R,4aR,5aS,9R,9aS,9bR,10aS)- [ACD/Index 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: 584.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.1±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.38
ACD/KOC (pH 5.5): 1365.17
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.38
ACD/KOC (pH 7.4): 1365.17
Polar Surface Area: 105 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 401.3±5.0 cm3

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