ChemSpider 2D Image | (1beta,5beta,7beta,8alpha,9xi,10alpha,11beta,13alpha,14R)-15-Oxo-7,20-cyclokaur-16-ene-1,11,14,20-tetrayl tetraacetate | C28H36O9

(1β,5β,7β,8α,9ξ,10α,11β,13α,14R)-15-Oxo-7,20-cyclokaur-16-ene-1,11,14,20-tetrayl tetraacetate

  • Molecular FormulaC28H36O9
  • Average mass516.580 Da
  • Monoisotopic mass516.235962 Da
  • ChemSpider ID24783982

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1β,5β,7β,8α,9ξ,10α,11β,13α,14R)-15-Oxo-7,20-cyclokaur-16-en-1,11,14,20-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(1β,5β,7β,8α,9ξ,10α,11β,13α,14R)-15-Oxo-7,20-cyclokaur-16-ene-1,11,14,20-tetrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (1β,5β,7β,8α,9ξ,10α,11β,13α,14R)-15-oxo-7,20-cyclokaur-16-ène-1,11,14,20-tétrayle [French] [ACD/IUPAC Name]
MFCD30177133

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 248.6±30.2 °C
Index of Refraction: 1.551
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.45
ACD/KOC (pH 5.5): 2036.71
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.45
ACD/KOC (pH 7.4): 2036.71
Polar Surface Area: 122 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 402.4±5.0 cm3

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