ChemSpider 2D Image | (2aS,5aR,6S,7R,8aR)-6-[2-(3-Furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one | C20H28O4

(2aS,5aR,6S,7R,8aR)-6-[2-(3-Furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID106293676

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2aS,5aR,6S,7R,8aR)-6-[2-(3-Furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-on [German] [ACD/IUPAC Name]
(2aS,5aR,6S,7R,8aR)-6-[2-(3-Furyl)ethyl]-6-hydroxy-2a,5a,7-trimethyldecahydro-2H-naphtho[1,8-bc]furan-2-one [ACD/IUPAC Name]
(2aS,5aR,6S,7R,8aR)-6-[2-(3-Furyl)éthyl]-6-hydroxy-2a,5a,7-triméthyldécahydro-2H-naphto[1,8-bc]furan-2-one [French] [ACD/IUPAC Name]
2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aR,6S,7R,8aR)- [ACD/Index 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: 465.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 235.2±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.63
ACD/KOC (pH 5.5): 1731.11
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.63
ACD/KOC (pH 7.4): 1731.11
Polar Surface Area: 60 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 288.4±3.0 cm3

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