ChemSpider 2D Image | chaetomugilin F | C23H25ClO5

chaetomugilin F

  • Molecular FormulaC23H25ClO5
  • Average mass416.895 Da
  • Monoisotopic mass416.139038 Da
  • ChemSpider ID27023871

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6aS,8R,9R,11bR)-5-Chlor-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6a,8,9,11b-tetrahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromen-6,11-dion [German] [ACD/IUPAC Name]
(6aS,8R,9R,11bR)-5-Chloro-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6a,8,9,11b-tetrahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromene-6,11-dione [ACD/IUPAC Name]
(6aS,8R,9R,11bR)-5-Chloro-6a,8,9-triméthyl-3-[(1E,3S)-3-méthyl-1-pentén-1-yl]-6a,8,9,11b-tétrahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromène-6,11-dione [French] [ACD/IUPAC Name]
6H,11H-Pyrano[3',4':4,5]furo[2,3-h]-2-benzopyran-6,11-dione, 5-chloro-6a,8,9,11b-tetrahydro-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-, (6aS,8R,9R,11bR)- [ACD/Index Name]
chaetomugilin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 199.1±29.1 °C
Index of Refraction: 1.589
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.59
ACD/KOC (pH 5.5): 923.90
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.59
ACD/KOC (pH 7.4): 923.90
Polar Surface Area: 62 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 322.9±5.0 cm3

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