ChemSpider 2D Image | Sterostrein A | C28H32O4

Sterostrein A

  • Molecular FormulaC28H32O4
  • Average mass432.551 Da
  • Monoisotopic mass432.230072 Da
  • ChemSpider ID26233325

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

4H-Benz[f]inden-4-one, 1,2,9,9a-tetrahydro-9-hydroxy-2,2,9-trimethyl-6-(2,4,7,7a-tetrahydro-7-hydroxy-2,2,7-trimethyl-4-oxo-1H-inden-6-yl)- [ACD/Index Name]
9-Hydroxy-6-(7-hydroxy-2,2,7-triméthyl-4-oxo-2,4,7,7a-tétrahydro-1H-indén-6-yl)-2,2,9-triméthyl-1,2,9,9a-tétrahydro-4H-cyclopenta[b]naphtalén-4-one [French] [ACD/IUPAC Name]
9-Hydroxy-6-(7-hydroxy-2,2,7-trimethyl-4-oxo-2,4,7,7a-tetrahydro-1H-inden-6-yl)-2,2,9-trimethyl-1,2,9,9a-tetrahydro-4H-cyclopenta[b]naphthalen-4-one [ACD/IUPAC Name]
9-Hydroxy-6-(7-hydroxy-2,2,7-trimethyl-4-oxo-2,4,7,7a-tetrahydro-1H-inden-6-yl)-2,2,9-trimethyl-1,2,9,9a-tetrahydro-4H-cyclopenta[b]naphthalin-4-on [German] [ACD/IUPAC Name]
Sterostrein A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 351.9±28.0 °C
Index of Refraction: 1.634
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4453.40
ACD/KOC (pH 5.5): 14233.97
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4453.38
ACD/KOC (pH 7.4): 14233.91
Polar Surface Area: 75 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 343.5±5.0 cm3

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