ChemSpider 2D Image | (3beta,9xi,18xi)-3-Hydroxyolean-12-en-28-oic acid | C30H48O3

(3β,9ξ,18ξ)-3-Hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID28284209

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3β,9ξ,18ξ)-3-Hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,9ξ,18ξ)-3-Hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,9ξ,18ξ)-3-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-hydroxy-, (3β,9ξ,18ξ)- [ACD/Index Name]
MFCD00064914 [MDL number]
Oleanolic acid [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 302.6±26.6 °C
Index of Refraction: 1.557
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 255162.84
ACD/KOC (pH 5.5): 141777.56
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 4017.71
ACD/KOC (pH 7.4): 2232.38
Polar Surface Area: 58 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

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