ChemSpider 2D Image | (11alpha,16beta,22alpha)-16,22,23,28-Tetrahydroxy-11-methoxyolean-12-en-3-one | C31H50O6

(11α,16β,22α)-16,22,23,28-Tetrahydroxy-11-methoxyolean-12-en-3-one

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID58912061
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(11α,16β,22α)-16,22,23,28-Tetrahydroxy-11-methoxyolean-12-en-3-on [German] [ACD/IUPAC Name]
(11α,16β,22α)-16,22,23,28-Tetrahydroxy-11-methoxyolean-12-en-3-one [ACD/IUPAC Name]
(11α,16β,22α)-16,22,23,28-Tétrahydroxy-11-méthoxyoléan-12-én-3-one [French] [ACD/IUPAC Name]
Olean-12-en-3-one, 16,22,23,28-tetrahydroxy-11-methoxy-, (11α,16β,22α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±6.0 kJ/mol
Flash Point: 199.0±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.97
ACD/KOC (pH 5.5): 2009.46
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.97
ACD/KOC (pH 7.4): 2009.46
Polar Surface Area: 107 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 432.6±5.0 cm3

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