ChemSpider 2D Image | MFCD00210473 | C32H50O5

MFCD00210473

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID24534152

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,20R,23S,24R)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(8α,9β,11β,14β,20R,23S,24R)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(8α,9β,11β,14β,23S,24R)-11-Hydroxy-3-oxo-24,25-epoxydammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
19865-76-0 [RN]
23-Acetylalismol B
23-O-Acetylalisol B
26575-95-1 [RN]
Acétate de (8α,9β,11β,14β,20R,23S,24R)-11-hydroxy-3-oxo-24,25-époxydammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
Acétate de (8α,9β,11β,14β,23S,24R)-11-hydroxy-3-oxo-24,25-époxydammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Alisol B 23-acetate, a natural triterpenoid, produces protective effects against EE-induced cholestasis, due to FXR-mediated gene regulation. MedChem Express
      Alisol B 23-acetate, a natural triterpenoid, produces protective effects against EE-induced cholestasis, due to FXR-mediated gene regulation.; IC50 Value:; Target: Anti-hepatotoxic natural product. MedChem Express HY-N0805
      Alisol B 23-acetate, a natural triterpenoid, produces protective effects against EE-induced cholestasis, due to FXR-mediated gene regulation.;IC50 Value:;Target: Anti-hepatotoxic natural product. ;In vitro: Alisol-B 23-acetate has an effect on FXR activation in a dose-dependent manner using luciferase reporter assay in HepG2 cells [3].;In vivo: In alisol B 23-acetate-treated mice, the changes in transporters and enzymes, as well as ameliorative liver histology were abrogated by FXR antagonist guggulsterone [1]. Alisol B 23-acetate treatment in a dose-dependent manner resulted in protection against hepatotoxicity induced by CCl4via FXR activation. Through FXR activation, alisol B 23-acetate promoted hepatocyte proliferation via an induction in hepatic levels of FoxM1b, Cyclin D1 and Cyclin B1. Alisol B 23-acetate also reduced hepatic bile acids through a decrease in hepatic uptake transporter Ntcp, bile acid synthetic enzymes Cyp7a1, Cyp8b1, and an increase in efflux transporter B MedChem Express HY-N0805
      Others MedChem Express HY-N0805

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 179.9±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21598.45
ACD/KOC (pH 5.5): 44072.28
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21598.45
ACD/KOC (pH 7.4): 44072.28
Polar Surface Area: 76 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 459.2±5.0 cm3

Click to predict properties on the Chemicalize site


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