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Paeonolide

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Identification
Molecular formula
C18H18O3
CAS number
69694-75-1
IUPAC name
3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
State
State
This compound is typically found in a solid state at room temperature, often forming crystalline structures. The solid is stable under normal conditions.
Melting point (Celsius)
168.00
Melting point (Kelvin)
441.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
298.35g/mol
Molar mass
298.3520g/mol
Density
1.2000g/cm3
Appearence
3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione appears as a crystalline solid. The specific color of the crystalline form can vary, but it is generally a white or off-white substance.
Comment on solubility

Solubility Insights for C18H18O3

The compound 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione displays intriguing solubility characteristics that often depend on various factors. Solubility is a crucial property that determines how a compound interacts in a solvent environment. Here are some key points regarding its solubility:

  • Polarity: The presence of the carbonyl (C=O) and ether functionalities influences its polarity, suggesting possible solubility in polar solvents such as alcohols and acetone.
  • Typical Solvent Behavior: Depending on the solvent, this compound may exhibit:
    • High solubility in polar protic solvents.
    • Limited solubility in non-polar solvents like hydrocarbons.
  • Temperature Effects: Solubility can also increase with temperature, making it easier to dissolve in hot solvents.
  • Crystallinity: The crystalline nature of C18H18O3 may further impact its dissolution rate, which can be significant for its solubility performance.

In conclusion, the solubility of 3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione in different solvents will play a vital role in its application and performance in various environments. Understanding these solubility dynamics enhances its practical usage in chemical formulations.

Interesting facts

Interesting Facts about 3,5a,9-Trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione

This compound, known for its complex structure, presents a captivating case study in organic chemistry. It contains several key features that emphasize its significance and intrigue:

  • Structural Complexity: The diverse range of ring systems and functional groups showcases how organic compounds can evolve intricate molecular frameworks. This characteristic often gives rise to unique chemical properties and reactivity patterns.
  • Potential Applications: While specific applications may vary, compounds of this nature often find their utility in pharmaceutical research. Their complex structures can lead to the development of novel therapeutic agents and biologically active compounds.
  • Synthetic Challenges: The synthesis of such a compound can be particularly challenging due to its multiple stereocenters and the need for regioselectivity in various reactions. This complexity can inspire creativity and innovation in synthetic methodology.

“In the world of organic chemistry, each molecule tells a story; a story of its formation, transformation, and potential uses.” Understanding such compounds allows chemists to unravel the intricacies of molecular design and functionality.

This compound exemplifies the beauty of chemistry, where the relationship between structure and function plays a pivotal role in the way we approach chemical synthesis and applications.

Synonyms
3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
(3S)-3beta,5aalpha,9-Trimethyl-2,3,3abeta,4,5,5a,8,9bbeta-octahydronaphtho[1,2-b]furan-2,8-dione
1618-78-6
6-.alpha.(H)-Santonin
SCHEMBL707621
CHEMBL226231
CHEBI:181343
XJHDMGJURBVLLE-UHFFFAOYSA-N
(3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
ALBB-025395
BBL037234
NSC240831
NSC240834
NSC311146
STL560156
AKOS000121153
AKOS017258743
NSC-240831
NSC-240834
NSC-311146
Eudesma-1,4-dien-12-oic acid, 6.beta.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-
AS-55980
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.alpha.)]-
PD014682
SY231845
DB-051520
Z199056930
3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzouran-2,8-dione
3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione
3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione #
Eudesma-1,4-dien-12-oic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11R)-
naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3.alpha.,3a.beta.,5a.alpha.,9b.alpha.)]-