ChemSpider 2D Image | 4-Methoxy-2-oxo-6-[(1R,2S,4aR,8S,8aR)-1,2,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2H-pyran-3-carbaldehyde | C20H26O4

4-Methoxy-2-oxo-6-[(1R,2S,4aR,8S,8aR)-1,2,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2H-pyran-3-carbaldehyde

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID23310442

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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2H-Pyran-3-carboxaldehyde, 4-methoxy-6-[(1R,2S,4aR,8S,8aR)-1,2,4a,5,6,7,8,8a-octahydro-1,2,8-trimethyl-1-naphthalenyl]-2-oxo- [ACD/Index Name]
4-Méthoxy-2-oxo-6-[(1R,2S,4aR,8S,8aR)-1,2,8-triméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-2H-pyrane-3-carbaldéhyde [French] [ACD/IUPAC Name]
4-Methoxy-2-oxo-6-[(1R,2S,4aR,8S,8aR)-1,2,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2H-pyran-3-carbaldehyde [ACD/IUPAC Name]
4-Methoxy-2-oxo-6-[(1R,2S,4aR,8S,8aR)-1,2,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-2H-pyran-3-carbaldehyd [German] [ACD/IUPAC Name]
4-methoxy-2-oxo-6-[(1R,2S,4aR,8S,8aR)-1,2,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2H-pyran-3-carbaldehyde
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398663/
solanapyrone J
solanapyrone M

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

Density: 1.1±0.1 g/cm3
Boiling Point: 480.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 210.4±28.8 °C
Index of Refraction: 1.544
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1022.95
ACD/KOC (pH 5.5): 4966.54
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1022.95
ACD/KOC (pH 7.4): 4966.54
Polar Surface Area: 53 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 289.8±5.0 cm3

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