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digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
State
State

Digitoxin is a solid at room temperature.

Melting point (Celsius)
246.00
Melting point (Kelvin)
519.15
Boiling point (Celsius)
645.00
Boiling point (Kelvin)
918.15
General information
Molecular weight
765.96g/mol
Molar mass
765.9560g/mol
Density
1.3200g/cm3
Appearence

Digitoxin typically appears as white crystalline to off-white powder. It is practically odorless.

Comment on solubility

Solubility of 5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one

The solubility of the compound C41H64O13, also known as 5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one, can be quite complex due to its unique structure. Here are some key points to consider:

  • General Solubility: The compound is expected to be slightly soluble in polar solvents due to the presence of multiple hydroxyl (-OH) groups, which enhance hydrogen bonding capabilities.
  • Solvent Preference: It is likely to exhibit significant solubility in:
    • Alcohols (e.g., methanol, ethanol)
    • Aqueous solutions with strong polarity
    • Organic solvents such as dimethyl sulfoxide (DMSO)
  • Solubility Challenges: The large hydrophobic hydrocarbon chains in its structure may lead to:
    • Poor solubility in water
    • Potential precipitation in low-polarity environments
  • Temperature Effects: Increasing temperature generally enhances solubility, particularly in organic solvents.

In summary, while C41H64O13 likely exhibits some degree of solubility in specific solvents, its large and complex molecular structure may hinder solubility in others, particularly polar solvents like water. Understanding these solubility characteristics can be vital for applications in pharmaceuticals and material science.

Interesting facts

Interesting Facts about 5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one

This compound is a complex and fascinating member of the larger class of organic molecules known as polycyclic compounds. Here are some engaging insights into its structure and potential significance:

  • Nature-Inspired Structure: The name hints at the intricate relationship between its structure and natural products. Many similar compounds are derived from plant sources, especially those known for their medicinal properties.
  • Unique Functional Groups: With multiple hydroxyl (-OH) groups, this compound exhibits potential **hydrophilic characteristics**, which can play a significant role in biochemical interactions and pharmaceutical applications.
  • Biodiversity in Chemistry: The tetradecahydrocyclopenta[a]phenanthren moiety signifies that this compound shares structural features with steroids and other important biomolecules, potentially influencing hormonal activity.
  • Potential Applications: Given its complex structure, this compound could serve as a valuable template for drug design, particularly in fields focusing on anti-cancer or anti-inflammatory medicines.
  • Research Opportunities: Emphasizing the importance of structural biology, the study of this compound could reveal insights into molecular interactions and mechanistic pathways critical in the development of new therapies.

Overall, the exploration of such compounds holds immense potential in the realms of bioorganic chemistry and drug discovery, making them significant subjects of interest for both scientists and students alike.

Synonyms
5-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
465-21-4
3-.beta.,14-Dihydroxy-5-.beta.-bufa-20,22-dienolide
5.beta.-Bufa-20,22-dienolide, 3.beta.,14-dihydroxy-
SCHEMBL12756993
CHEBI:181100
BCP15771
NSC89595
NSC248518
AKOS024319427
NSC-248518
3,14-Dihydroxybufa-20,22-dienolide #
5.beta.-Bufa-20, 3.beta.,14-dihydroxy-
Bufa-20, 3,14-dihydroxy-, (3.beta.,5.beta.)-