ChemSpider 2D Image | (3beta,9xi,14beta,18alpha)-Olean-12-ene-3,11,30-triol | C30H50O3

(3β,9ξ,14β,18α)-Olean-12-ene-3,11,30-triol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID25023010
  • defined stereocentres - 8 of 10 defined stereocentres


More details:






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

(3β,9ξ,14β,18α)-Olean-12-en-3,11,30-triol [German] [ACD/IUPAC Name]
(3β,9ξ,14β,18α)-Olean-12-ene-3,11,30-triol [ACD/IUPAC Name]
(3β,9ξ,14β,18α)-Oléan-12-ène-3,11,30-triol [French] [ACD/IUPAC Name]
Olean-12-ene-3,11,30-triol, (3β,9ξ,14β,18α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 227.9±24.7 °C
Index of Refraction: 1.562
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 126457.46
ACD/KOC (pH 5.5): 156152.75
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 126457.46
ACD/KOC (pH 7.4): 156152.75
Polar Surface Area: 61 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

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