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Ambrein

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Identification
Molecular formula
C30H52O2S
CAS number
551-77-5
IUPAC name
(1S,2S,4R,8S,11R,12S,15S,16S)-15-(1-methoxycyclopentoxy)-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane
State
State

Ambrein is in a solid state at room temperature.

Melting point (Celsius)
83.00
Melting point (Kelvin)
356.15
Boiling point (Celsius)
493.00
Boiling point (Kelvin)
766.15
General information
Molecular weight
428.74g/mol
Molar mass
428.7390g/mol
Density
0.9706g/cm3
Appearence

Ambrein is a white crystalline substance. It may appear as a fine powder and is derived from ambergris, which is a solid, waxy material.

Comment on solubility

Solubility of (1S,2S,4R,8S,11R,12S,15S,16S)-15-(1-methoxycyclopentoxy)-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane

The solubility of this complex organic compound can be quite intriguing due to its unique structural features. Here are some key points to consider:

  • Polar vs Nonpolar: The solubility largely depends on the balance of polar and nonpolar character within the molecule. The presence of the methoxy group suggests potential polarity, which may enhance solubility in polar solvents.
  • Solvent Compatibility: The compound may exhibit improved solubility in solvents such as:
    • Alcohols (e.g., methanol, ethanol)
    • Dimethyl sulfoxide (DMSO)
    • Aqueous solutions with surfactants
  • Hydrophobic Regions: Due to its large hydrocarbon framework, the compound might be less soluble in purely polar solvents and could show substantial solubility in organic solvents like:
    • Hexane
    • Toluene
    • Chloroform
  • Temperature Effects: Like many organic compounds, its solubility may increase with temperature, suggesting that heating solvents could facilitate dissolution.

In conclusion, the solubility of this intriguing compound can be variable and highly dependent on the choice of solvent and environmental conditions. The interplay between its hydrophilic and hydrophobic characteristics creates a fascinating landscape for solubility exploration, making it a subject well worth studying in depth.

Interesting facts

Interesting Facts about (1S,2S,4R,8S,11R,12S,15S,16S)-15-(1-methoxycyclopentoxy)-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane

This compound is a unique and complex structure that belongs to the category of pentacyclic compounds, characterized by its numerous cyclic frameworks. The intricate arrangement of its rings makes it a fascinating subject of study in organic chemistry. Here are some interesting facts about this remarkable compound:

  • Structural Diversity: The presence of multiple stereocenters gives rise to a variety of stereoisomers. This diversity allows chemists to explore the effects of chirality on chemical reactivity and biological activity.
  • Thia Compound: The incorporation of a sulfur atom in its structure, as indicated by the term "thia", signifies potential for unique chemical properties, such as increased reactivity and the ability to form specific types of bonds.
  • Significance in Drug Development: Compounds with complex structures like this one often serve as precursors or inspiration for the development of pharmaceuticals due to their potential biological activity, which can lead to novel therapeutic agents for various diseases.
  • Potential Applications: The methoxycyclopentoxy group may contribute to its solubility and interactiveness with biological systems, which could be advantageous in medicinal chemistry.
  • Academic Interest: This compound provides a rich topic for research related to stereochemistry, reaction mechanisms, and the influence of molecular structure on properties. It serves as a real-world example for students to understand complex organic constructs.
  • Environmental Impacts: Understanding the stability and degradation pathways of similar compounds is crucial in assessing their environmental impact and persistence in ecosystems.

In conclusion, the study of (1S,2S,4R,8S,11R,12S,15S,16S)-15-(1-methoxycyclopentoxy)-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecane not only enhances our knowledge of organic compounds but also opens pathways for innovation in chemistry and related fields. As emphasized by many chemists, “The beauty of chemistry lies in the intricacies of molecular interactions and the endless possibilities they present.”

Synonyms
SCHEMBL13124
NS00122381