ChemSpider 2D Image | (3beta)-3-[(2-Carboxybenzoyl)oxy]olean-12-en-28-oic acid | C38H52O6

(3β)-3-[(2-Carboxybenzoyl)oxy]olean-12-en-28-oic acid

  • Molecular FormulaC38H52O6
  • Average mass604.816 Da
  • Monoisotopic mass604.376404 Da
  • ChemSpider ID8524126

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(2-Carboxybenzoyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(2-Carboxybenzoyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
1,2-Benzenedicarboxylic acid, mono[(3β)-28-hydroxy-28-oxoolean-12-en-3-yl] ester [ACD/Index Name]
Acide (3β)-3-[(2-carboxybenzoyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(2-carboxybenzoyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
CHEMBL502586

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 210.0±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 169.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.91
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 57812.09
ACD/KOC (pH 5.5): 12343.55
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 1161.95
ACD/KOC (pH 7.4): 248.09
Polar Surface Area: 101 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 504.2±5.0 cm3

Click to predict properties on the Chemicalize site


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