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Ursodeoxycholic Acid ester derivative (not a common name)

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Identification
Molecular formula
C30H46O6
CAS number
/
IUPAC name
10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
State
State

At room temperature, this compound is in a solid state, typically found as crystalline powder.

Melting point (Celsius)
202.00
Melting point (Kelvin)
475.15
Boiling point (Celsius)
390.00
Boiling point (Kelvin)
663.15
General information
Molecular weight
482.68g/mol
Molar mass
482.6770g/mol
Density
1.2896g/cm3
Appearence

The compound typically appears as a white crystalline powder. It is generally odorless, or it may have a faint odor due to its esterification.

Comment on solubility

Solubility of 10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid (C30H46O6)

The solubility characteristics of 10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid are complex, largely influenced by its chemical structure and functional groups. This compound contains multiple carboxylic acid functional groups, which generally enhance its polarity and potential solubility in polar solvents.

Some key points regarding its solubility include:

  • In Polar Solvents: The presence of the carboxylic acid groups suggests good solubility in polar solvents such as water and alcohols. These groups can ionize, forming carboxylate ions that interact favorably with solvent molecules.
  • In Non-Polar Solvents: Conversely, the large aliphatic and aromatic hydrocarbon regions of the molecule may limit solubility in non-polar solvents. The bulky hydrocarbon chains could create significant steric hindrance which challenges dissolution.
  • Influence of Temperature: As with many organic compounds, solubility can be temperature-dependent. Increased temperatures often improve solubility in both water and organic solvents.

In conclusion, while the compound is likely to exhibit enhanced solubility in polar environments due to its hydrophilic functional groups, its overall solubility profile will depend considerably on the interplay between its hydrophobic hydrocarbon framework and the solvent's properties. Understanding these characteristics is crucial for applications involving this compound.

Interesting facts

Interesting Facts about 10-(3-Carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

This complex compound is not just a mouthful; it represents a fascinating intersection of organic chemistry and nature! Here are some key insights:

  • Structural Diversity: The nomenclature reveals a highly intricate structure. With multiple rings and functional groups, it showcases how nature's molecules can be both elaborate and functional.
  • Biological Relevance: Compounds with similar structures are often explored in pharmaceutical chemistry due to their potential biological activities, including anti-inflammatory and anti-cancer properties.
  • Synthetic Interest: The synthetic pathways to create such a molecule can shed light on methods for constructing complex organic systems, a common theme in advanced organic chemistry courses and research.
  • Applications in Research: Chemical compounds like this one may serve as precursors or intermediates in the synthesis of larger, biologically active molecules.

“Exploring the depths of chemical structures reveals not just the artistry of nature but the ingenuity of human innovation.”

This compound serves as a reminder of the beauty and complexity that lies within organic chemistry. Each component plays a vital role in the overall functionality, opening doors to various applications across diverse fields such as drug discovery, material science, and environmental chemistry.

Synonyms
5697-56-3
(3beta,20beta)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid
CHEMBL4514279
SCHEMBL21424404
DTXSID50859924
DB-052994
3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-29-oic acid