ChemSpider 2D Image | (3S,3aS,6aS,10S,10aR)-4-Formyl-3-{[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl 4-nitrobenzoate | C32H41NO8

(3S,3aS,6aS,10S,10aR)-4-Formyl-3-{[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl 4-nitrobenzoate

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID8706439

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,3aS,6aS,10S,10aR)-4-Formyl-3-{[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl 4-nitrobenzoate [ACD/IUPAC Name]
(3S,3aS,6aS,10S,10aR)-4-Formyl-3-{[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxy}-7,7-dimethyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-10-yl-4-nitrobenzoat [German] [ACD/IUPAC Name]
1H-Naphtho[1,8a-c]furan-4-carboxaldehyde, 3,3a,6,6a,7,8,9,10-octahydro-7,7-dimethyl-3-[[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-10-[(4-nitrobenzoyl)oxy]-1-oxo-, (3S,3aS,6aS,10S,10aR)- [ACD/Index Name]
4-Nitrobenzoate de (3S,3aS,6aS,10S,10aR)-4-formyl-3-{[(1S,2R,5S)-2-isopropyl-5-méthylcyclohexyl]oxy}-7,7-diméthyl-1-oxo-3,3a,6,6a,7,8,9,10-octahydronaphto[1,8a-c]furan-10-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 242.8±34.9 °C
Index of Refraction: 1.573
Molar Refractivity: 150.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.99
ACD/BCF (pH 5.5): 119885.55
ACD/KOC (pH 5.5): 150300.19
ACD/LogD (pH 7.4): 6.99
ACD/BCF (pH 7.4): 119885.55
ACD/KOC (pH 7.4): 150300.19
Polar Surface Area: 125 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 456.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement