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Segesterone acetate

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Identification
Molecular formula
C21H26O3
CAS number
7759-35-5
IUPAC name
3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
State
State
Segesterone acetate is typically in a solid state at room temperature, appearing as a crystalline powder.
Melting point (Celsius)
190.00
Melting point (Kelvin)
463.15
Boiling point (Celsius)
577.30
Boiling point (Kelvin)
850.45
General information
Molecular weight
424.60g/mol
Molar mass
424.6040g/mol
Density
1.1100g/cm3
Appearence

Segesterone acetate appears as a white to off-white crystalline powder. It is typically odorless or may have a faint odor.

Comment on solubility

Solubility of 3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol

The solubility of the compound 3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol (C21H26O3) can be influenced by several factors including polarity, molecular structure, and the presence of functional groups. Here are some important considerations regarding its solubility:

  • Polarity: This compound contains both hydrophobic (cyclopentoxy and ethynyl groups) and hydrophilic functional groups (the hydroxyl, -OH). The balance of these groups can affect its solubility.
  • Solvent Interaction: Generally, compounds with greater hydrophobic character tend to be less soluble in polar solvents (like water) and more soluble in non-polar solvents (such as hexane or toluene).
  • Structural Influences: The complex polycyclic structure typically leads to limited aqueous solubility. Compounds of this nature often exhibit solubility in organic solvents or with the use of co-solvents.
  • Experimental Evidence: Testing in relevant solvents, such as alcohols or organic solvents, would be essential to ascertain precise solubility values.

In summary, while the incorporation of a hydroxyl group may suggest potential for solubility in polar environments, the overall large and complex molecular structure likely limits solubility in water. Therefore, the compound may be best suited for applications in organic solvents. As a rule of thumb, the phrase "like dissolves like" serves as a useful guideline when considering the solubility of this compound.

Interesting facts

Interesting Facts about 3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol

This complex organic compound, known for its unique structure, exhibits several intriguing characteristics that make it a subject of interest in the field of chemistry.

1. Unique Structural Features

The structure of this compound is noteworthy due to the following:

  • Cyclopentoxy Group: This functional group adds significant steric and electronic influences, affecting the compound's reactivity and interactions.
  • Ethynyl Functionality: The presence of the ethynyl group contributes to its potential applications in organic synthesis and medicinal chemistry.
  • Decahydro Core: The decahydro cyclopenta[a]phenanthren skeleton is relatively rare, providing unique conformational properties.

2. Potential Applications

This compound may find its applications in various fields:

  • **Pharmaceuticals:** Due to its complex structure, compounds similar to this one may exhibit biological activity, prompting research into its potential therapeutic uses.
  • Organic Synthesis: Its unique reactivity can be leveraged to create other complex molecules.
  • Material Science: The compound's distinctive properties may also make it valuable in the development of new materials.

3. Research Opportunities

Given the compound's structural complexity, it presents several avenues for research, including:

  • Synthesis Challenges: The multi-step synthesis and characterization of this compound are of significant interest to chemists.
  • Structural Analysis: Advanced techniques, such as NMR and X-ray crystallography, can provide insights into its 3D arrangement and behavior.
  • Mechanistic Studies: Understanding how this compound interacts with biological systems could lead to exciting discoveries.

In conclusion, the compound 3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol serves as a fascinating example of the complexity and potential of organic compounds, appealing to both seasoned chemists and budding students in the field. Its unique structural elements and applications make it a compelling subject for ongoing research.

Synonyms
DTXSID30864293
3-(Cyclopentyloxy)-19-norpregna-3,5-dien-20-yn-17-ol