ChemSpider 2D Image | (3beta)-3-[(Carboxycarbonyl)oxy]olean-12-en-28-oic acid | C32H48O6

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

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID8705605

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(Carboxycarbonyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(Carboxycarbonyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(carboxycarbonyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Ethanedioic acid, mono[(3β)-28-hydroxy-28-oxoolean-12-en-3-yl] ester [ACD/Index Name]
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(carboxycarbonyloxy)-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
CHEMBL449967
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449967/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 192.4±27.8 °C
Index of Refraction: 1.562
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.17
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 107.86
ACD/KOC (pH 5.5): 58.50
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 41.28
ACD/KOC (pH 7.4): 22.39
Polar Surface Area: 101 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 446.6±5.0 cm3

Click to predict properties on the Chemicalize site


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