ChemSpider 2D Image | 3-Epiursolic acid | C30H48O3

3-Epiursolic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID23338884
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(3α)-3-Hydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
3-Epiursolic acid
989-30-0 [RN]
Acide (3α)-3-hydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
(1S,2R,4aS,6aS,6bR,8aR,10R,12aR,12bR,14bS)-10-hydroxy-1,2,6a,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
(3α)-3-Hydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
3-epi-ursolic acid
Urs-12-en-28-oic acid, 3-hydroxy-, (3α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 304.7±26.6 °C
Index of Refraction: 1.555
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 250234.89
ACD/KOC (pH 5.5): 142725.45
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 3951.90
ACD/KOC (pH 7.4): 2254.03
Polar Surface Area: 58 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

Click to predict properties on the Chemicalize site






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