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4029-65-6

4029-65-6 Structure

4029-65-6 Structure
IdentificationBack Directory
[Name]

3-Oxo-14-hydroxy-5β-bufa-20,22-dienolide
[CAS]

4029-65-6
[Synonyms]

Bufalon
Bufalone
14-Hydroxy-3-oxo-5β-bufa-20,22-dienolide
3-Oxo-14-hydroxy-5β-bufa-20,22-dienolide
Bufa-20,22-dienolide, 14-hydroxy-3-oxo-, (5β)-
[Molecular Formula]

C24H32O4
[MOL File]

4029-65-6.mol
[Molecular Weight]

384.52
Chemical PropertiesBack Directory
[Boiling point ]

555.7±50.0 °C(Predicted)
[density ]

1.222±0.06 g/cm3(Predicted)
[pka]

14.99±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

3-Oxo-bufalin is an active compound that can be isolated from cultured toad liver tissue. 3-Oxo-bufalin can be produced through a metabolic pathway, and it is a metabolite of Bufalin (HY-N0877) catalyzed by the stereoselective 3β-dehydrogenase. Bufalin is a Na+/K+-ATPase inhibitor and has anti-tumor activity[1].
[References]

[1] Ruan L J, et al. 3α-Hydroxybufadienolides in Bufo gallbladders: structural insights and biotransformation[J]. Natural Products and Bioprospecting, 2024, 14(1): 19.
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