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Digitoxigenin

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Identification
Molecular formula
C23H34O4
CAS number
143-62-4
IUPAC name
3-[(3S,5R,10S,13R,14S)-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]-2H-furan-5-one
State
State

At room temperature, digitoxigenin is typically found in a solid state. It is a stable compound under normal conditions.

Melting point (Celsius)
245.00
Melting point (Kelvin)
518.15
Boiling point (Celsius)
593.15
Boiling point (Kelvin)
866.00
General information
Molecular weight
418.58g/mol
Molar mass
418.5850g/mol
Density
1.3409g/cm3
Appearence

Digitoxigenin appears as white crystalline needles. It is relatively small in size and exhibits a fine glossy finish. This compound is known for its crystalline nature.

Comment on solubility

Solubility of 3-[(3S,5R,10S,13R,14S)-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]-2H-furan-5-one

The solubility of the compound 3-[(3S,5R,10S,13R,14S)-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]-2H-furan-5-one can be influenced by a variety of factors due to its complex structure. This compound contains multiple functional groups, which typically affect solubility in various solvents.

  • Polarity: With hydroxyl groups present, the compound is likely to exhibit some polarity, potentially enhancing its solubility in polar solvents such as water.
  • Hydrophobic regions: The extensive hydrocarbon backbone may contribute to hydrophobic characteristics, potentially leading to lower solubility in polar solvents.
  • Solvent interactions: The specific interactions with solvents can also play a crucial role. For instance, it may be more soluble in organic solvents like ethanol or DMSO, where its hydrophobic parts can interact more favorably.
  • Temperature effects: As with many organic compounds, solubility may increase with temperature, allowing more solute to dissolve at elevated temperatures.

Overall, while predicting exact solubility can be complex, the combination of polar and non-polar regions within this compound suggests a nuanced solubility profile. Experimental determination would provide the most accurate insight into its solubility characteristics in various solvents.

Interesting facts

Interesting Facts about 3-[(3S,5R,10S,13R,14S)-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]-2H-furan-5-one

This compound is an intriguing member of the broader family of natural products, often studied for their complex structural properties and potential biological activities. Here are some fascinating insights:

  • Structural Complexity: With multiple functional groups and stereocenters, this compound exhibits remarkable stereochemistry. Such complexity often correlates with unique biological activities, which are of great interest in pharmaceutical research.
  • Natural Sources: Many compounds similar to this one are derived from plants and have historically been used in traditional medicine. Investigating the biosynthetic pathways can reveal how nature constructs complex molecules from simpler precursors.
  • Potential Biological Activity: Compounds possessing the furan-5-one moiety are often evaluated for their pharmacological properties. Some studies have suggested potential anticancer and anti-inflammatory effects, making them candidates for drug discovery.
  • Research Applications: Due to its unique structure, this molecule can serve as a valuable template for synthetic chemists aiming to develop new derivatives with enhanced efficacy and reduced side effects.
  • Interdisciplinary Interest: Researchers from fields like medicinal chemistry, biochemistry, and pharmacognosy are likely to collaborate in studying the therapeutic potentials of compounds like this, illustrating how chemistry can bridge diverse scientific disciplines.

In summary, the significance of 3-[(3S,5R,10S,13R,14S)-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]-2H-furan-5-one highlights the intrinsic relationship between chemical structure and biological function, showcasing the importance of chemical diversity in nature. As a chemistry student or scientist, exploring such compounds can lead to groundbreaking discoveries!

Synonyms
SCHEMBL13988799