ChemSpider 2D Image | Methyl (20xi)-11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate | C22H26N2O4

Methyl (20ξ)-11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate

  • Molecular FormulaC22H26N2O4
  • Average mass382.453 Da
  • Monoisotopic mass382.189270 Da
  • ChemSpider ID24756562

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(20ξ)-11-Méthoxy-19-méthyl-16,17-didéhydro-18-oxayohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (20ξ)-11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(20ξ)-11-methoxy-19-methyl-16,17-didehydro-18-oxajohimban-16-carboxylat [German] [ACD/IUPAC Name]
Oxayohimban-16-carboxylic acid, 16,17-didehydro-11-methoxy-19-methyl-, methyl ester, (20ξ)- [ACD/Index Name]
methyl (13bS,14aS)-11-methoxy-4-methyl-5,8,14,13b,14a,4a-hexahydro-4H-indolo[2 ,3-a]pyrano[3,4-g]quinolizinecarboxylate
methyl (13bS,14aS)-11-methoxy-4-methyl-5,8,14,13b,14a,4a-hexahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizinecarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.3±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.62
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 30.63
ACD/KOC (pH 7.4): 279.35
Polar Surface Area: 64 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 292.1±5.0 cm3

Click to predict properties on the Chemicalize site


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