(3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide | CAS No. 20143-97-9

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

Basic Information

CAS Number

20143-97-9

Molecular Formula

C24H34O5

Molecular Weight

402.52 g/mol

AD

Basic Physical Properties

Physical State

Powder

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

InChI

InChI=1S/C24H34O5/c1-22-8-5-16(25)11-15(22)12-19(26)21-18(22)6-9-23(2)17(7-10-24(21,23)28)14-3-4-20(27)29-13-14/h3-4,13,15-19,21,25-26,28H,5-12H2,1-2H3/t15-,16-,17+,18-,19-,21-,22-,23+,24-/m0/s1

InChIKey

IZQUQFWHNJERCJ-XKPFVIKISA-N

LogP

3.2127000000000017

Topological Polar Surface Area

90.89999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

773

Synonyms & References

English

  • 7beta-Hydroxybufalin
  • (3
  • cent,5
  • A,7
  • 7β-Hydroxybufalin

FAQ

What are the physical and chemical properties of (3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide (CAS: 20143-97-9)?

(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.

How is (3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide (CAS: 20143-97-9) typically synthesized?

(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%.

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

(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.

What precautions should be taken when handling (3beta,5beta,7beta)-3,7,14-Trihydroxybufa-20,22-dienolide (CAS: 20143-97-9)?

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.

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