ChemSpider 2D Image | (3aR,5aS,6R,7R,9aR,9bS)-6-{[(2-Acetoxybenzoyl)oxy]methyl}-3a,6,9a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydronaphtho[2,1-b]furan-7-yl 2-acetoxybenzoate | C38H42O11

(3aR,5aS,6R,7R,9aR,9bS)-6-{[(2-Acetoxybenzoyl)oxy]methyl}-3a,6,9a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydronaphtho[2,1-b]furan-7-yl 2-acetoxybenzoate

  • Molecular FormulaC38H42O11
  • Average mass674.734 Da
  • Monoisotopic mass674.272705 Da
  • ChemSpider ID34537656

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3aR,5aS,6R,7R,9aR,9bS)-6-{[(2-Acetoxybenzoyl)oxy]methyl}-3a,6,9a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydronaphtho[2,1-b]furan-7-yl 2-acetoxybenzoate [ACD/IUPAC Name]
(3aR,5aS,6R,7R,9aR,9bS)-6-{[(2-Acetoxybenzoyl)oxy]methyl}-3a,6,9a-trimethyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodecahydronaphtho[2,1-b]furan-7-yl-2-acetoxybenzoat [German] [ACD/IUPAC Name]
2-Acétoxybenzoate de (3aR,5aS,6R,7R,9aR,9bS)-6-{[(2-acétoxybenzoyl)oxy]méthyl}-3a,6,9a-triméthyl-2-(2-oxo-2,5-dihydro-3-furanyl)dodécahydronaphto[2,1-b]furan-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(acetyloxy)-, [(3aR,5aS,6R,7R,9aR,9bS)-7-[[2-(acetyloxy)benzoyl]oxy]-2-(2,5-dihydro-2-oxo-3-furanyl)dodecahydro-3a,6,9a-trimethylnaphtho[2,1-b]furan-6-yl]methyl ester [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: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 302.7±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 174.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7742.43
ACD/KOC (pH 5.5): 21147.00
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7742.43
ACD/KOC (pH 7.4): 21147.00
Polar Surface Area: 141 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 511.7±5.0 cm3

Click to predict properties on the Chemicalize site


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