ChemSpider 2D Image | (3beta,5beta)-3-Hydroxylup-20(29)-en-28-oic acid | C30H48O3

(3β,5β)-3-Hydroxylup-20(29)-en-28-oic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID26232147

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5β)-3-Hydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β,5β)-3-Hydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5β)-3-hydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3β,5β)- [ACD/Index Name]
(+)-(3ß)-3-Hydroxylup-20(29)-en-28-oic acid
[472-15-1] [RN]
Betulinic acid [Wiki]
OK5761000
STX 209 |
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Antitumor and anti-HIV agent; activates NF-?B. Also TGR5 agonist Tocris Bioscience 3906
      Antitumor and anti-HIV agent; activates NF-kappaB. Also TGR5 agonist Tocris Bioscience 3906
      Apoptosis Tocris Bioscience 3906
      Apoptosis Inducers Tocris Bioscience 3906
      Cell Biology Tocris Bioscience 3906
      Natural triterpenoid that displays anti-HIV and antitumor activity. Induces the production of reactive oxygen species (ROS) and activates NF-?B. Also a GPBA receptor partial agonist (EC50 = 1.04 ?M, efficacy 83%). Tocris Bioscience 3906
      Natural triterpenoid that displays anti-HIV and antitumor activity. Induces the production of reactive oxygen species (ROS) and activates NF-?B. Exhibits GPBA receptor agonist activity (EC50 = 1.04 ?M). Tocris Bioscience 3906
      Natural triterpenoid that displays anti-HIV and antitumor activity. Induces the production of reactive oxygen species (ROS) and activates NF-?B. Exhibits TGR5 agonist activity (EC50 = 1.04 ?M). Tocris Bioscience 3906
      Natural triterpenoid that displays anti-HIV and antitumor activity. Induces the production of reactive oxygen species (ROS) and activates NF-kappaB. Also a GPBA receptor partial agonist (EC50 = 1.04 muM, efficacy 83%). Tocris Bioscience 3906

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.4±6.0 kJ/mol
Flash Point: 300.5±21.9 °C
Index of Refraction: 1.533
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 61787.45
ACD/KOC (pH 5.5): 50506.77
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 971.45
ACD/KOC (pH 7.4): 794.09
Polar Surface Area: 58 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

Click to predict properties on the Chemicalize site


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