ChemSpider 2D Image | chaetomugilin D | C23H27ClO6

chaetomugilin D

  • Molecular FormulaC23H27ClO6
  • Average mass434.910 Da
  • Monoisotopic mass434.149628 Da
  • ChemSpider ID24705878

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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(6aS,7aR,8R,9R,11aR,11bS)-5-Chlor-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromen-6,11-dion [German] [ACD/IUPAC Name]
(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromene-6,11-dione [ACD/IUPAC Name]
(6aS,7aR,8R,9R,11aR,11bS)-5-Chloro-7a-hydroxy-6a,8,9-triméthyl-3-[(1E,3S)-3-méthyl-1-pentén-1-yl]-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromène-6,11-dione [French] [ACD/IUPAC Name]
1098081-38-9 [RN]
6H,11H-Pyrano[3',4':4,5]furo[2,3-h]-2-benzopyran-6,11-dione, 5-chloro-6a,7a,8,9,11a,11b-hexahydro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methyl-1-penten-1-yl]-, (6aS,7aR,8R,9R,11aR,11bS)- [ACD/Index Name]
chaetomugilin D
(6aS,7aR,8R,9R,11aR,11bS)-5-chloro-7a-hydroxy-6a,8,9-trimethyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6a,7a,8,9,11a,11b-hexahydro-6H,11H-pyrano[3',4':4,5]furo[2,3-h]isochromene-6,11-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494745/
  • Miscellaneous

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 311.4±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.73
ACD/KOC (pH 5.5): 665.66
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.72
ACD/KOC (pH 7.4): 665.55
Polar Surface Area: 82 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 328.2±5.0 cm3

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