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Dihydrotanshinone I

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Identification
Molecular formula
C19H18O5
CAS number
568-72-9
IUPAC name
calcium;7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate
State
State

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

Melting point (Celsius)
243.00
Melting point (Kelvin)
516.15
Boiling point (Celsius)
612.00
Boiling point (Kelvin)
885.15
General information
Molecular weight
334.37g/mol
Molar mass
334.3720g/mol
Density
1.3331g/cm3
Appearence

The compound appears as a crystalline solid with a light yellow to off-white color. The powder form can be quite fine and is prone to form dust.

Comment on solubility

Solubility of Calcium; 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate

The solubility of complex chemical compounds can often present unique challenges, and the compound in question is no exception. This particular compound, with its intricate structure, exhibits a solubility profile influenced by various factors:

  • Polarity: The presence of polar functional groups, such as hydroxyl (-OH) and carbamoyloxy (-CONH2), typically enhances solubility in polar solvents like water.
  • Hydrophobic regions: Conversely, the methoxy and tetrahydropyran parts of the molecule may impart hydrophobic characteristics, potentially limiting solubility.
  • pH Dependency: The solubility might also vary with changes in pH, particularly due to the amino (-NH2) and hydroxyl groups that could influence the compound's ionization in solution.
  • Temperature effects: As with many organic compounds, heat can increase solubility, making solvation more favorable.

In conclusion, while it is challenging to pinpoint exact solubility characteristics without empirical data, the interplay between the aforementioned factors suggests a complex solubility behavior for this compound. Understanding its solubility is critical for applications in formulation and pharmaceutical use, ensuring effective delivery and efficacy of the compound. As a rule of thumb, always conduct a solubility test in relevant solvents to gather empirical data and confirm theoretical predictions.

Interesting facts

Interesting Facts about Calcium; 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate

This compound presents a fascinating blend of pharmacological and biochemical properties, making it a point of interest in the field of medicinal chemistry. Containing multiple functional groups, its structural complexity provides numerous avenues for interaction with biological systems.

Key Features:

  • Multi-Functional Groups: The presence of hydroxyl, carbamoyloxy, and methoxy groups in its structure is crucial for its reactivity and potential therapeutic effects.
  • Natural Products Inspiration: This compound resembles natural products derived from plants, hinting at its possible use in herbal medicine and organic synthesis.
  • Potential Biological Activity: Given its structure, this compound might exhibit activities such as anti-inflammatory, antioxidant, or even anticancer properties, making it a candidate for further pharmacological studies.

As noted by scientists, "The relationship between structure and biological activity in complex compounds like this can yield essential insights into new therapeutic agents." Understanding how these intricate molecular designs function within biological pathways enhances our quest for innovative pharmaceuticals.

With research focused on compounds like this, chemists hope to unlock new mechanisms of action and improve drug development processes. This compound exemplifies the beauty of chemistry, where every small change in structure can lead to grand differences in activity.