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Digitoxigenin

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Identification
Molecular formula
C23H34O4
CAS number
143-62-4
IUPAC name
(3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-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, Digitoxigenin is found in a solid state. It is a stable compound when stored in airtight containers away from sunlight and moisture.

Melting point (Celsius)
219.00
Melting point (Kelvin)
492.15
Boiling point (Celsius)
336.00
Boiling point (Kelvin)
609.15
General information
Molecular weight
402.49g/mol
Molar mass
402.4880g/mol
Density
1.0906g/cm3
Appearence

Digitoxigenin appears as a white crystalline powder lacking any significant odor. Its crystalline nature is often apparent under a microscope, and its white appearance indicates high purity levels common in analytical-grade chemicals.

Comment on solubility

Solubility Characteristics

The compound (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-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 presents intriguing solubility properties due to its complex molecular structure.

General Solubility Trends

This compound is expected to have varied solubility depending on several factors:

  • Polarity: The presence of multiple hydroxyl groups (–OH) suggests that it may exhibit good solubility in polar solvents like water or alcohols due to hydrogen bonding.
  • Hydrophobic Characteristics: The extensive hydrocarbon backbone may contribute to hydrophobic interactions, making the compound less soluble in polar solvents.
  • Functional Groups: The furan moiety and aldehyde group can also influence solubility, potentially allowing for unique interactions with different solvents.

Solvent Interactions

When evaluating the solubility of this compound, it is essential to consider the following potential solvent interactions:

  • With Water: The multiple –OH groups could enhance solubility in aqueous solutions, especially if the compound can form strong hydrogen bonds.
  • With Organic Solvents: Changes in solubility can occur with solvents such as ethanol, methanol, or DMSO, which can solvate the molecule differently based on their polarity and ability to interact with functional groups.

In conclusion, the solubility of (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-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 likely to be a delicate balance between hydrophilic and hydrophobic properties. Understanding its solubility behavior will require experimental determination across various solvents to fully capture its interactions.

Interesting facts

Interesting Facts about (3S,5S,10R,13R,14S,15R,17R)-3,14,15-trihydroxy-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 unique compound, often simplified to its core structure, plays a significant role in the study of organic chemistry and drug development. Here are some captivating insights:

  • Complex Structure: The compound features a multi-ring system and multiple stereocenters, making it a fascinating subject for stereochemistry studies.
  • Natural Product Inspiration: Compounds with similar structures are often derived from natural products, which can exhibit medicinal properties.
  • Biological Significance: Compounds of this class may influence biological pathways, making them interesting candidates for pharmaceutical research.
  • Functional Groups: The presence of multiple hydroxyl groups enhances its reactivity and potential interaction with biological molecules.
  • Potential Applications: Researchers are increasingly interested in the development of compounds with multifunctional properties for therapeutic purposes.

As Einstein once said, “Everything should be made as simple as possible, but not simpler.” This complex molecule exemplifies the intricate balance of innovation and nature in chemical design. It invites a deeper understanding of how molecular structure can affect function, which is essential for every budding chemist's journey.

In summary, this compound not only enriches our understanding of organic chemistry but also opens doors to future discoveries in medicinal chemistry. Keep an eye on such compounds; they might just hold the key to unlocking new frontiers in science!

Synonyms
DTXSID10931119
3,14,15-Trihydroxy-19-oxocard-20(22)-enolide