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Digitoxin

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Identification
Molecular formula
C41H64O13
CAS number
71-63-6
IUPAC name
[16,17-diacetoxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2,3-dihydroxy-2-methyl-butanoate
State
State

At room temperature, Digitoxin is a solid. It exists as a fine crystalline powder. Typically, it is stable under standard conditions of temperature and pressure.

Melting point (Celsius)
244.00
Melting point (Kelvin)
517.15
Boiling point (Celsius)
374.00
Boiling point (Kelvin)
647.15
General information
Molecular weight
764.94g/mol
Molar mass
764.9370g/mol
Density
1.4495g/cm3
Appearence

Digitoxin typically appears as a white crystalline powder. It is a cardiac glycoside and is often used for its pharmacological effects. Its appearance might vary slightly depending on the form it is in, such as in raw or processed pharmaceutical formulations.

Comment on solubility

Solubility of [16,17-diacetoxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2,3-dihydroxy-2-methyl-butanoate

The solubility of this complex chemical compound, C41H64O13, can be quite intricate and is influenced by a number of factors. Understanding its solubility involves considering various aspects:

  • Molecular Structure: The presence of multiple hydroxyl (-OH) groups suggests that this compound may be hydrophilic (water-attracting) to some extent, increasing its solubility in polar solvents like water.
  • Functional Groups: The introduction of acetoxy groups may also enhance solubility in organic solvents, indicating that it could dissolve well in non-polar environments, such as oils.
  • Temperature and pH: Solubility can vary significantly with changes in temperature and pH levels, affecting the ionization state of the hydroxyl groups.
  • Concentration Effects: Higher concentrations of the compound may lead to saturation in solution, potentially limiting the observed solubility within certain binding situations.

In essence, while predicting the solubility of this compound may require empirical testing, its structural features suggest a potential for varying degrees of solubility across different environments. As a rule of thumb, compounds with high polarity and multiple functional groups are often considered to have better solubility in polar solvents, while their counterparts may find more affinity in non-polar solutions.

Interesting facts

Exploring the Wonders of [16,17-diacetoxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2,3-dihydroxy-2-methyl-butanoate

This intriguing compound represents a remarkable intersection of organic chemistry and biochemistry, showcasing the complex structures that are achievable through molecular design. Here are some engaging facts about this compound:

  • Structural Diversity: The compound features a unique polycyclic framework—specifically a heptacyclic structure—illustrating the incredible variety of carbon skeletons that can be synthesized. This complexity allows for a multitude of chemical interactions.
  • Functional Groups: With multiple hydroxyl (–OH) and acetate (–OCOCH3) groups, this compound exhibits both hydrophilic and hydrophobic properties, making it highly versatile for biochemical applications.
  • Pharmaceutical Potential: Due to its structural characteristics, compounds of this nature often reveal interesting biological activities. They can be explored for their potential use as drug candidates, particularly in the field of natural products.
  • Natural Occurrence: Compounds with such elaborate structures are frequently derived from natural sources, providing insight into the chemistry of life. They may serve important roles in ecology and physiology, such as chemical signaling or protection.
  • Analytical Techniques: Investigating compounds like this one requires advanced analytical techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography to elucidate their structures and understand their properties.

As we explore the realm of such complex compounds, we are reminded of the beauty and intricacy of chemistry. The study of this compound not only enhances our understanding of molecular interactions but also opens up doors for innovative applications in various scientific fields.

Synonyms
protoveratrine B
(16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo(12.12.0.02,11.04,9.015,25.018,23.019,25)hexacosan-22-yl) 2-hydroxy-2-methylbutanoate
[16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-hydroxy-2-methylbutanoate
DTXSID50871606
6,7-Bis(acetyloxy)-4,14,16,20-tetrahydroxy-15-[(2-methylbutanoyl)oxy]-4,9-epoxycevan-3-yl 2,3-dihydroxy-2-methylbutanoate