ChemSpider 2D Image | arjungenin | C30H48O6

arjungenin

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID110669

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β,19α)-2,3,19,24-Tetrahydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3β,19α)-2,3,19,24-Tetrahydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
55306-03-1 [RN]
Acide (2α,3β,19α)-2,3,19,24-tétrahydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
arjungenin
MFCD24849375
Olean-12-en-28-oic acid, 2,3,19,24-tetrahydroxy-, (2α,3β,19α)- [ACD/Index Name]
Sericic acid
(1S,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
(2α,3β,4β,19α)-2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid
More...
  • Miscellaneous

    • Bio Activity:

      Anti-inflammatory. Antibacterial. Antifungal. Haemolytic agent. Weak phosphodiesterase 4 (PDE4) inhibitor. Antioxidant. Hello Bio [HB4081]
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB4081]
      Enzymes/Phosphodiesterase/PDE4 Hello Bio [HB4081]
      Phosphodiesterase 4 (PDE4) inhibitor with various biological actions Hello Bio [HB4081]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 354.5±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 312.82
ACD/KOC (pH 5.5): 1021.14
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 4.98
ACD/KOC (pH 7.4): 16.26
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 407.8±5.0 cm3

Click to predict properties on the Chemicalize site


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