ChemSpider 2D Image | (2E,22beta)-22-Hydroxy-2-(4-hydroxy-3-methoxybenzylidene)-3-oxoolean-12-en-28-oic acid | C38H52O6

(2E,22β)-22-Hydroxy-2-(4-hydroxy-3-methoxybenzylidene)-3-oxoolean-12-en-28-oic acid

  • Molecular FormulaC38H52O6
  • Average mass604.816 Da
  • Monoisotopic mass604.376404 Da
  • ChemSpider ID30822209

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E,22β)-22-Hydroxy-2-(4-hydroxy-3-methoxybenzyliden)-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
(2E,22β)-22-Hydroxy-2-(4-hydroxy-3-methoxybenzylidene)-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
Acide (2E,22β)-22-hydroxy-2-(4-hydroxy-3-méthoxybenzylidène)-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 22-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylene]-3-oxo-, (2E,22β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 724.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 220.0±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 93175.91
ACD/KOC (pH 5.5): 59634.74
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 1477.38
ACD/KOC (pH 7.4): 945.56
Polar Surface Area: 104 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 497.4±5.0 cm3

Click to predict properties on the Chemicalize site


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