ChemSpider 2D Image | gukulenin F | C42H54O10

gukulenin F

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID29784946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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(1R)-1-[(1R,2R,3R)-2-(4-Hydroxy-6-{(Z)-1-hydroxy-2-[(1R,3aR,4R,5R,10bR)-4,5,8-trihydroxy-1-isopropyl-3a,10-dimethyl-9-oxo-1,2,3,3a,4,5,9,10b-octahydrocyclohepta[e]inden-6-yl]vinyl}-2-methyl-3-oxo-1,4, 6-cycloheptatrien-1-yl)-3-isopropyl-1-methylcyclopentyl]-2-oxoethyl acetate [ACD/IUPAC Name]
(1R)-1-[(1R,2R,3R)-2-(4-Hydroxy-6-{(Z)-1-hydroxy-2-[(1R,3aR,4R,5R,10bR)-4,5,8-trihydroxy-1-isopropyl-3a,10-dimethyl-9-oxo-1,2,3,3a,4,5,9,10b-octahydrocyclohepta[e]inden-6-yl]vinyl}-2-methyl-3-oxo-1,4, 6-cycloheptatrien-1-yl)-3-isopropyl-1-methylcyclopentyl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R)-1-[(1R,2R,3R)-2-(4-hydroxy-6-{(Z)-1-hydroxy-2-[(1R,3aR,4R,5R,10bR)-4,5,8-trihydroxy-1-isopropyl-3a,10-diméthyl-9-oxo-1,2,3,3a,4,5,9,10b-octahydrocyclohepta[e]indén-6-yl]vinyl}-2-méthyl -3-oxo-1,4,6-cycloheptatrién-1-yl)-3-isopropyl-1-méthylcyclopentyl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Cyclopentaneacetaldehyde, α-(acetyloxy)-2-[4-hydroxy-6-[(Z)-1-hydroxy-2-[(1R,3aR,4R,5R,10bR)-1,2,3,3a,4,5,9,10b-octahydro-4,5,8-trihydroxy-3a,10-dimethyl-1-(1-methylethyl)-9-oxocyclohept[e]inden-6 -yl]ethenyl]-2-methyl-3-oxo-1,4,6-cycloheptatrien-1-yl]-1-methyl-3-(1-methylethyl)-, (αR,1R,2R,3R)- [ACD/Index Name]
gukulenin 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: 790.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 232.2±26.4 °C
Index of Refraction: 1.613
Molar Refractivity: 193.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2128.30
ACD/KOC (pH 5.5): 8376.38
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1423.78
ACD/KOC (pH 7.4): 5603.58
Polar Surface Area: 179 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 555.3±5.0 cm3

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