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(3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide(CAS: 20143-97-9)

(3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide
CAS Number

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Basic Information

Molecular Formula
C24H34O5
Molecular Weight
402.52 g/mol
Physical State
Powder

Chemical Identifiers

SMILES
C[C@]12CC[C@H](O)C[C@H]1C[C@H](O)[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC[C@@]21O)C1C=CC(=O)OC=1
InChIKey
IZQUQFWHNJERCJ-XKPFVIKISA-N

Database References

FAQ

(3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide is a white crystalline solid with a molecular weight of approximately 428.44 g/mol. It is sparingly soluble in water and ethanol, and soluble in methanol. Chemically, it is highly reactive, especially with bases and reducing agents. Its stability is moderate, but it should be stored in a dry, cool place away from direct sunlight and strong acids.
(3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide is typically synthesized through semi-synthetic routes from bufadienolides. Common methods include lactonization of bufadienolides followed by hydroxylation at specific positions. The synthesis usually requires the use of metal catalysts, such as palladium or platinum, and involves multi-step reactions. Yields are usually between 50-70%.
(3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide is primarily used in the pharmaceutical industry for its cardiac and antitumor properties. It is also of interest in the natural product chemistry and drug discovery sectors. Its applications in the production of semi-synthetic cardiac glycosides for therapeutic use are well-known, and it is also studied for potential uses in polymer synthesis and biosensor development.
When handling (3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight. All handling should be done in a well-ventilated area or fume hood. In the event of a spill, it should be cleaned up using spill kits designed for hazardous chemicals. Always refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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