ChemSpider 2D Image | chaetomugilin C | C23H25ClO6

chaetomugilin C

  • Molecular FormulaC23H25ClO6
  • Average mass432.894 Da
  • Monoisotopic mass432.133972 Da
  • ChemSpider ID27023802

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6aS,8R,9R,11bR)-5-Chlor-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a,8,9-trimethyl-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-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a,8,9-trimethyl-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-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-6a,8,9-triméthyl-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-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a,8,9-trimethyl-, (6aS,8R,9R,11bR)- [ACD/Index Name]
chaetomugilin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.52
ACD/KOC (pH 5.5): 212.42
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.52
ACD/KOC (pH 7.4): 212.42
Polar Surface Area: 82 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 320.8±5.0 cm3

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