ChemSpider 2D Image | 5-Methoxy-3-{2-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C21H32O3

5-Methoxy-3-{2-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID28289403

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2(5H)-Furanone, 3-[2-[(1S,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethyl]-5-methoxy- [ACD/Index Name]
5-Methoxy-3-{2-[(1S,8aS)-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Méthoxy-3-{2-[(1S,8aS)-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
5-Methoxy-3-{2-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
coronarin G

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

Density: 1.0±0.1 g/cm3
Boiling Point: 450.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 193.0±21.9 °C
Index of Refraction: 1.516
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3858.64
ACD/KOC (pH 5.5): 12845.86
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3858.64
ACD/KOC (pH 7.4): 12845.86
Polar Surface Area: 36 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement