ChemSpider 2D Image | (1S,1'R,2R,6S,6'R,7'R)-6-(Acetoxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecane]-2,7'-diyl diacetate | C26H34O9

(1S,1'R,2R,6S,6'R,7'R)-6-(Acetoxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecane]-2,7'-diyl diacetate

  • Molecular FormulaC26H34O9
  • Average mass490.543 Da
  • Monoisotopic mass490.220276 Da
  • ChemSpider ID57257076

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,1'R,2R,6S,6'R,7'R)-6-(Acetoxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecane]-2,7'-diyl diacetate [ACD/IUPAC Name]
[(1R,1'S,3'R,5S,6R,7R)-3',7-diacetyloxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl]methyl acetate
116368-90-2 [RN]
Acetylexidonin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 261.7±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.60
ACD/KOC (pH 5.5): 984.17
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.60
ACD/KOC (pH 7.4): 984.17
Polar Surface Area: 122 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

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