ChemSpider 2D Image | 7-Epiclusianone | C33H42O4

7-Epiclusianone

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID10205580

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,5R,7S)-3-Benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-en-2,9-dion [German] [ACD/IUPAC Name]
(1R,5R,7S)-3-Benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione [ACD/IUPAC Name]
(1R,5R,7S)-3-Benzoyl-4-hydroxy-6,6-diméthyl-1,5,7-tris(3-méthyl-2-butén-1-yl)bicyclo[3.3.1]non-3-ène-2,9-dione [French] [ACD/IUPAC Name]
7-Epiclusianone
Bicyclo[3.3.1]non-3-ene-2,9-dione, 3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methyl-2-buten-1-yl)-, (1R,5R,7S)- [ACD/Index Name]
(1R,5R,7S)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • Miscellaneous

    • Chemical Class:

      An enone that is a tetraprenyl benzophenone derivative isolated from <ital>Rheedia gardneriana</ital> and <ital>Garcinia brasiliensis</ital>. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities. ChEBI CHEBI:65850
      An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities. ChEBI CHEBI:65850
      An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and; vasodilating activities . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65850

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 325.8±26.6 °C
Index of Refraction: 1.553
Molar Refractivity: 149.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.43
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 204615.88
ACD/KOC (pH 5.5): 111573.41
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 3529.70
ACD/KOC (pH 7.4): 1924.68
Polar Surface Area: 71 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 466.4±3.0 cm3

Click to predict properties on the Chemicalize site


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