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A. Tanshinol acetate

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Identification
Molecular formula
C16H22O4
CAS number
7589-99-1
IUPAC name
[(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
State
State

At room temperature, the compound is typically found as a solid. It is stable under normal conditions of temperature and pressure.

Melting point (Celsius)
92.50
Melting point (Kelvin)
365.70
Boiling point (Celsius)
370.70
Boiling point (Kelvin)
643.80
General information
Molecular weight
278.32g/mol
Molar mass
278.3220g/mol
Density
1.3486g/cm3
Appearence

The compound appears as a white crystalline solid under normal conditions. Its crystalline structure is distinct and can often be identified visually using optical crystallography techniques.

Comment on solubility

Solubility of [(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

This compound, a complex organic molecule, exhibits distinctive solubility characteristics influenced by its structural features. Understanding its solubility is crucial for various applications, including formulation chemistry and biological studies.

Solubility Characteristics

  • Polarity: The presence of functional groups, such as acetate and dioxo moieties, may contribute to enhanced solubility in polar solvents.
  • Solvent Compatibility: This compound is likely soluble in:
    • Polar solvents like methanol or ethanol
    • Organic solvents such as dichloromethane or acetone
  • Insolubility Potential: Solubility may decrease in non-polar solvents due to the overall structure.
  • Temperature Dependence: Solubility may vary with temperature, generally increasing at higher temperatures.

It is essential to conduct empirical solubility tests to confirm these predictions. The quote, "Solubility is a key factor in determining the behavior of chemical compounds in various environments," underscores the importance of knowing the solubility profile for effective utilization.

In summary, while theoretical aspects can provide insights, practical solubility evaluations are vital for the successful application of [(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate in both laboratory and industrial settings.

Interesting facts

Interesting Facts about [(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate

This compound is a fascinating example of complex organic chemistry, displaying structural intricacies that offer insights into chemical reactivity and synthesis. Here are some intriguing aspects of this particular compound:

  • Structural Complexity: The compound features a unique azulene structure, which is characterized by its non-alternant hydrocarbon nature. This results in interesting electronic properties and contributes to its vibrant color.
  • Dioxo Functional Groups: The presence of two carbonyl groups (dioxo) significantly influences its reactivity, enhancing its potential in various organic reactions such as nucleophilic additions and condensation reactions.
  • Synthesis and Applications: Compounds like this one are often synthesized for their potential pharmaceutical applications. They can serve as intermediates in the synthesis of more complex molecules or even possess biological activity themselves.
  • Stereochemistry: The stereochemical descriptors (3aR, 5S, etc.) indicate that this compound has multiple chiral centers. This chirality can dramatically affect how the compound interacts biologically, making it a prime candidate for chiral resolution studies.

Overall, this compound exemplifies the beauty of organic chemistry—combining complexity in structure with potential utility in a variety of chemical applications. Its study not only furthers our understanding of organic reactions but also opens doors to innovation in fields such as drug development and materials science.

Synonyms
Balduilin
Balduiline
Baldulin
Ambrosa-2,11(13)-dien-12-oic acid, 6-beta,8-beta-dihydroxy-4-oxo-, 12,8-lactone, acetate
[(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
6895-47-2
((3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno(6,5-b)furan-9-yl) acetate