Bufalin

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Identification

Molecular formula
C24H34O4
CAS Number
465-16-7
IUPAC Name
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Molecular Weight
386.54g/mol
Melting Point
(Celsius)
Boiling Point
(Celsius)
Density
1.2619g/cm3
Synonyms
Digitoxin digitoxoside
Interesting facts

Interesting Facts About 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

This complex compound is a fascinating member of the class of natural products often studied for their potential therapeutic properties. As a scientist or chemistry student, here are some captivating aspects to consider:

  • Stereochemistry: The detailed stereochemical notation (with S and R designations) indicates a high level of chirality within the structure. This could imply unique biological activity, as chirality plays a crucial role in how compounds interact with biological systems.
  • Natural Origins: Many compounds similar to this structure are derived from natural sources, particularly from plants or microorganisms. Such compounds may exhibit unique pharmacological effects, marking them as candidates for drug development.
  • Modified Structures: The presence of various functional groups, such as hydroxyl and furan moieties, suggests that this compound may have diverse chemical reactivity, allowing for a variety of synthetic modifications and applications in medicinal chemistry.
  • Potential Applications: Compounds with intricate structures like this one often demonstrate properties such as anti-inflammatory, anti-cancer, or antibiotic effects. Research into these compounds can lead to breakthroughs in therapeutic treatments.
  • Structure-Activity Relationship (SAR): Understanding how specific structural features influence activity is essential. This compound's complexity invites extensive investigation into its mechanism of action and potential improvements through structural modification.

In summary, 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one is not just a mouthful of a name; it represents a potential treasure trove of biological and chemical properties waiting to be uncovered through diligent research.

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