ChemSpider 2D Image | chaephilone C | C23H27ClO7

chaephilone C

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID64868948

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,7S,7aR,10R,11S,12aS)-5-Chlor-1,7-dihydroxy-7,10,11-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-7,7a,10,11-tetrahydro-6H,8H-pyrano[3',4':4,5]furo[3,2-i]isochromen-6,8-dion [German] [ACD/IUPAC Name]
(1S,7S,7aR,10R,11S,12aS)-5-Chloro-1,7-dihydroxy-7,10,11-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-7,7a,10,11-tetrahydro-6H,8H-pyrano[3',4':4,5]furo[3,2-i]isochromene-6,8-dione [ACD/IUPAC Name]
(1S,7S,7aR,10R,11S,12aS)-5-Chloro-1,7-dihydroxy-7,10,11-triméthyl-3-[(1E,3S)-3-méthyl-1-pentén-1-yl]-7,7a,10,11-tétrahydro-6H,8H-pyrano[3',4':4,5]furo[3,2-i]isochromène-6,8-dione [French] [ACD/IUPAC Name]
1H,6H,8H-Pyrano[3',4':4,5]furo[3,2-i]-2-benzopyran-6,8-dione, 5-chloro-7,7a,10,11-tetrahydro-1,7-dihydroxy-7,10,11-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-, (1S,7S,7aR,10R,11S,12aS)- [ACD/Index Name]
chaephilone C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.02
ACD/KOC (pH 5.5): 2078.96
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 302.81
ACD/KOC (pH 7.4): 2077.50
Polar Surface Area: 102 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 325.3±5.0 cm3

Click to predict properties on the Chemicalize site


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