ChemSpider 2D Image | [(1R,1'R,2S,6S,6'S,7'S,9'S)-6-Acetoxy-7'-hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecan]-2-yl]methyl acetate | C24H32O8

[(1R,1'R,2S,6S,6'S,7'S,9'S)-6-Acetoxy-7'-hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecan]-2-yl]methyl acetate

  • Molecular FormulaC24H32O8
  • Average mass448.506 Da
  • Monoisotopic mass448.209717 Da
  • ChemSpider ID113609674

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(1R,1'R,2S,6S,6'S,7'S,9'S)-6-Acetoxy-7'-hydroxy-3,3-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecan]-2-yl]methyl acetate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 206.3±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.56
ACD/KOC (pH 5.5): 475.29
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.56
ACD/KOC (pH 7.4): 475.29
Polar Surface Area: 116 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 349.5±5.0 cm3

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