ChemSpider 2D Image | 4'-epichaetomugilin A | C23H27ClO7

4'-epichaetomugilin A

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID27022526

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6aS,7aR,8S,9R,11aR,11bS)-5-Chlor-7a-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a,8,9-trimethyl-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,8S,9R,11aR,11bS)-5-Chloro-7a-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a,8,9-trimethyl-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,8S,9R,11aR,11bS)-5-Chloro-7a-hydroxy-3-[(1E,3R,4R)-4-hydroxy-3-méthyl-1-pentén-1-yl]-6a,8,9-triméthyl-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]
4'-epichaetomugilin A
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-3-[(1E,3R,4R)-4-hydroxy-3-methyl-1-penten-1-yl]-6a,8,9-trimethyl-, (6aS,7aR,8S,9R,11aR,11bS )- [ACD/Index Name]
4'-epi-Chaetomugilin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 340.4±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.70
ACD/KOC (pH 5.5): 121.00
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.70
ACD/KOC (pH 7.4): 120.98
Polar Surface Area: 102 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 326.1±5.0 cm3

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