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Digoxin

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Identification
Molecular formula
C41H64O14
CAS number
20830-75-5
IUPAC name
3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
State
State

At room temperature, digoxin exists as a solid.

Melting point (Celsius)
234.00
Melting point (Kelvin)
507.15
Boiling point (Celsius)
617.00
Boiling point (Kelvin)
890.15
General information
Molecular weight
780.95g/mol
Molar mass
780.9530g/mol
Density
1.3400g/cm3
Appearence

Digoxin is a white to off-white crystalline powder. It is odorless and has a bitter taste.

Comment on solubility

Solubility of 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde (C41H64O14)

The solubility of the compound 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde is influenced by several factors:

  • Polarity: The presence of multiple hydroxyl groups in its structure generally suggests that the compound is likely to exhibit some degree of hydrophilicity, which can enhance its solubility in polar solvents.
  • Hydrophobic Regions: However, the bulk of the molecule consists of a hydrophobic hydrocarbon framework, which may hinder solubility in aqueous environments.
  • Solvent Influences: Solubility may vary significantly with different solvents; for example:
    • Water: Limited solubility due to hydrophobic character.
    • Organic Solvents: Higher solubility in organic solvents such as ethanol or DMSO.
  • Temperature Dependency: As with many organic compounds, solubility may increase with temperature, allowing better interaction with solvents.

Ultimately, while the chemical structure suggests potential solubility due to hydroxyl groups, the overall balance of hydrophilic and hydrophobic characteristics poses a complex scenario. Exploring the solubility in various solvents can yield more insightful data regarding its practical applications.

Interesting facts

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

This complex compound exhibits a remarkable structure that showcases the intricate possibilities of organic chemistry. Known for its unique molecular architecture, it is a part of the larger family of polycyclic compounds. Below are some fascinating insights into this compound:

  • Structural Diversity: The compound features multiple functional groups, including hydroxyl, methoxy, and carbonyl functionalities, increasing its potential for various chemical reactions.
  • Potential Applications: Compounds like this are often explored for their potential in medicinal chemistry, particularly in the development of therapeutics that target specific biological pathways.
  • Natural Product Inspiration: The structure suggests that it may be synthesized from natural products, hinting at its possible pharmacological properties that could be extracted from plant sources.
  • Complexity and Synthesis: The synthesis of such intricate compounds requires advanced synthetic techniques, which can challenge even experienced chemists and often requires multiple reaction steps to achieve the final product.
  • Analytical Techniques: Characterizing this compound could employ various spectroscopic methods, including NMR, IR, and mass spectrometry, which are essential for understanding its properties and confirming its structure.

Quotes from notable chemists often emphasize the beauty of organic synthesis, such as, "The best part of chemistry is the thrill of discovery, where every new compound opens the door to infinite possibilities." This sentiment holds particularly true for complex compounds like this one, where each element and bond may bring unique functionalities.

Overall, the investigation into such compounds not only enriches our understanding of chemical behavior but also sparks innovation in designing new materials and pharmaceuticals.

Synonyms
MLS002695970
SMR001562125
cid_4749
3-[(6-deoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide
BDBM83464
DTXSID40871832
SMP1_000233
3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
DB-041393
Peruvoside from Thevetia neriifolia, ~90%, powder
3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde