Found 24 results

Search term: MF = 'C_{42}H_{54}O_{6}'
ChemSpider 2D Image | 6,8,9-Trihydroxy-4,7-bis{[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}dibenzo[b,d]furan-2,3-dione | C42H54O6

6,8,9-Trihydroxy-4,7-bis{[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}dibenzo[b,d]furan-2,3-dione

  • Molecular FormulaC42H54O6
  • Average mass654.875 Da
  • Monoisotopic mass654.392029 Da
  • ChemSpider ID8779699

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2,3-Dibenzofurandione, 6,8,9-trihydroxy-4,7-bis[[(1R,2S,4aR,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]- [ACD/Index Name]
6,8,9-Trihydroxy-4,7-bis{[(1R,2S,4aR,8aS)-1,2,4a,5-tétraméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]méthyl}dibenzo[b,d]furane-2,3-dione [French] [ACD/IUPAC Name]
6,8,9-Trihydroxy-4,7-bis{[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]methyl}dibenzo[b,d]furan-2,3-dione [ACD/IUPAC Name]
6,8,9-Trihydroxy-4,7-bis{[(1R,2S,4aR,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]methyl}dibenzo[b,d]furan-2,3-dion [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: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 222.5±26.4 °C
Index of Refraction: 1.625
Molar Refractivity: 186.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 13.66
ACD/LogD (pH 5.5): 11.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 526.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement