Betulinic acid
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Betulinic acid
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CAS No:
472-15-1
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Formula:
C30H48O3
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Chemical Name:
Betulinic acid
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Synonyms:
Lup-20(29)-en-28-oic acid,3-hydroxy-,(3β)-;Mairin;Lup-20(29)-en-28-oic acid,3β-hydroxy-;3aH-Cyclopenta[a]chrysene,lup-20(29)-en-28-oic acid deriv.;(3β)-3-Hydroxylup-20(29)-en-28-oic acid;Betulinic acid;Betulic acid;3β-Hydroxylup-20(29)-en-28-oic acid;(+)-Betulinic acid;β-Betulinic acid;NSC 113090;Lupatic acid;853271-91-7;1192133-35-9;1192133-65-5;2088830-43-5
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CAS No:
Description
Betulinic acid is a natural pentacyclic triterpenoid, acts as a eukaryotic topoisomerase I inhibitor, with an IC50 of 5 μM, and possesses anti-HIV, anti-malarial, anti-inflammatory and anti-tumor properties.
Characteristics
57.5
8.2
Solid
1.1±0.1 g/cm3
303 °C
550°C at 760 mmHg
300.5±21.9 °C
1.533
Store at +4°C
2.67E-14mmHg at 25°C
D25 +7.5° (c = 0.37 in pyridine)
Betulinic acid Use and Manufacturing
Betulinic Acid is a natural pentacyclic triterpenoid.Betulinic Acid displays anti-inflammatory and anti-HIV activity. Betulinic Acid selectively induces apoptosis in tumor cells by directly activating the mitochondrial pathway of apoptosis through a p53- and CD95-independent mechanism. Betulinic Acid also exhibits TGR5 agonist activity
Computed Properties
Molecular Weight:456.7
XLogP3:8.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:456.36034539
Monoisotopic Mass:456.36034539
Topological Polar Surface Area:57.5
Heavy Atom Count:33
Complexity:861
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Anti-inflammatory, protects skin from UV irritation, reduces pain and inflammatory response
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