ChemSpider 2D Image | Succinyl oleanolic acid | C34H52O6

Succinyl oleanolic acid

  • Molecular FormulaC34H52O6
  • Average mass556.773 Da
  • Monoisotopic mass556.376404 Da
  • ChemSpider ID8896882

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-3-[(3-Carboxypropanoyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(3-Carboxypropanoyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
4847-30-7 [RN]
Acide (3β)-3-[(3-carboxypropanoyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β)-28-hydroxy-28-oxoolean-12-en-3-yl] ester [ACD/Index Name]
Succinyl oleanolic acid
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(3-carboxypropanoyloxy)-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
CHEMBL446073
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446073/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 199.2±25.0 °C
Index of Refraction: 1.557
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 7.04
ACD/BCF (pH 5.5): 42169.05
ACD/KOC (pH 5.5): 18592.45
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 94.45
ACD/KOC (pH 7.4): 41.64
Polar Surface Area: 101 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 478.7±5.0 cm3

Click to predict properties on the Chemicalize site


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