ChemSpider 2D Image | 12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl acetate | C32H50O5

12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl acetate

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID35013758

More details:






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

12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl acetate [ACD/IUPAC Name]
12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 12-hydroxy-28-oxo-13,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
Oleanan-28-one, 3-(acetyloxy)-13,28-epoxy-12-hydroxy- [ACD/Index Name]
16-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl acetate
Oleanderolide 3-acetate

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 184.9±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 111870.26
ACD/KOC (pH 5.5): 143037.02
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 111870.26
ACD/KOC (pH 7.4): 143037.02
Polar Surface Area: 73 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 447.6±5.0 cm3

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