ChemSpider 2D Image | Ethyl [(1R,2S,4S,4aR,6R,6aS,7aS,10aR,10bS,10cR)-6-[(2-methoxyethoxy)methoxy]-4-(methoxymethoxy)-2,10c-dimethyl-9-oxotetradecahydro-1H-benzo[6,7]indeno[2,1-b]furan-1-yl]acetate | C27H44O9

Ethyl [(1R,2S,4S,4aR,6R,6aS,7aS,10aR,10bS,10cR)-6-[(2-methoxyethoxy)methoxy]-4-(methoxymethoxy)-2,10c-dimethyl-9-oxotetradecahydro-1H-benzo[6,7]indeno[2,1-b]furan-1-yl]acetate

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID9235469

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1R,2S,4S,4aR,6R,6aS,7aS,10aR,10bS,10cR)-6-[(2-Méthoxyéthoxy)méthoxy]-4-(méthoxyméthoxy)-2,10c-diméthyl-9-oxotétradécahydro-1H-benzo[6,7]indéno[2,1-b]furan-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Benz[6,7]indeno[2,1-b]furan-1-acetic acid, tetradecahydro-6-[(2-methoxyethoxy)methoxy]-4-(methoxymethoxy)-2,10c-dimethyl-9-oxo-, ethyl ester, (1R,2S,4S,4aR,6R,6aS,7aS,10aR,10bS,10cR)- [ACD/Index Name]
Ethyl [(1R,2S,4S,4aR,6R,6aS,7aS,10aR,10bS,10cR)-6-[(2-methoxyethoxy)methoxy]-4-(methoxymethoxy)-2,10c-dimethyl-9-oxotetradecahydro-1H-benzo[6,7]indeno[2,1-b]furan-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[(1R,2S,4S,4aR,6R,6aS,7aS,10aR,10bS,10cR)-6-[(2-methoxyethoxy)methoxy]-4-(methoxymethoxy)-2,10c-dimethyl-9-oxotetradecahydro-1H-benzo[6,7]indeno[2,1-b]furan-1-yl]acetat [German] [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: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 244.6±30.2 °C
Index of Refraction: 1.512
Molar Refractivity: 131.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.96
ACD/KOC (pH 5.5): 377.62
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.96
ACD/KOC (pH 7.4): 377.62
Polar Surface Area: 99 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 437.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement