ChemSpider 2D Image | ganotheaecolin A | C28H40O3

ganotheaecolin A

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID58827003

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6aS,8aR,9R,11aR,11cR)-9-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-3,11c-dihydroxy-6a,8a-dimethyl-6a,8,8a,9,10,11,11a,11c-octahydro-6H-naphtho[1,8-ef]azulen-2(7H)-on [German] [ACD/IUPAC Name]
(6aS,8aR,9R,11aR,11cR)-9-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-3,11c-dihydroxy-6a,8a-dimethyl-6a,8,8a,9,10,11,11a,11c-octahydro-6H-naphtho[1,8-ef]azulen-2(7H)-one [ACD/IUPAC Name]
(6aS,8aR,9R,11aR,11cR)-9-[(2R,3E,5R)-5,6-Diméthyl-3-heptén-2-yl]-3,11c-dihydroxy-6a,8a-diméthyl-6a,8,8a,9,10,11,11a,11c-octahydro-6H-naphto[1,8-ef]azulén-2(7H)-one [French] [ACD/IUPAC Name]
6H-Naphth[1,8-ef]azulen-2(7H)-one, 6a,8,8a,9,10,11,11a,11c-octahydro-3,11c-dihydroxy-6a,8a-dimethyl-9-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (6aS,8aR,9R,11aR,11cR)- [ACD/Index Name]
ganotheaecolin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 321.3±26.6 °C
Index of Refraction: 1.574
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 78375.06
ACD/KOC (pH 5.5): 110817.69
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 68638.66
ACD/KOC (pH 7.4): 97050.99
Polar Surface Area: 58 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

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