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Thapsigargin

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Identification
Molecular formula
C34H50O12
CAS number
67526-95-8
IUPAC name
3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
State
State

Thapsigargin is typically found in a solid state at room temperature.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
650.78g/mol
Molar mass
650.7760g/mol
Density
1.4000g/cm3
Appearence

Thapsigargin appears as a colorless, crystalline solid. It is not very soluble in water, contributing to its role as a potent compound affecting calcium balance in cell studies.

Comment on solubility

Solubility of 3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione

The solubility of 3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione is an intriguing topic, primarily due to the compound's complex structure and functional groups.

  • Polarity: The presence of hydroxyl (-OH) and methoxy (-OCH3) groups suggests that the compound may exhibit some degree of polarity, potentially enhancing its solubility in polar solvents.
  • Solvent Compatibility: It is likely to be soluble in organic solvents such as ethanol or methanol, while showing limited solubility in water due to the large hydrocarbon framework of the pentacyclic structure.
  • Temperature Dependence: Solubility can be temperature-dependent; higher temperatures might improve solubility in certain solvents while maintaining stability.

As a rule of thumb in chemistry, compounds with large and complex structures, like this one, often have unique solubility profiles that may deviate from simple predictions based on functional groups alone. In conclusion, further empirical research and solubility testing in various solvents would be beneficial to fully characterize the solubility aspects of this compound.

Interesting facts

Interesting Facts about 3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione

This fascinating compound exemplifies the complexity and beauty of organic chemistry. Known for its unique structural arrangement, it belongs to a class of polycyclic compounds that contain multiple fused ring systems. Below are several intriguing insights about this compound:

  • Structural Complexity: This molecule features a pentacyclic structure, showcasing a complex arrangement of carbon and oxygen atoms. Such complexity often translates into unique properties and functions.
  • Biological Significance: Compounds that share similar frameworks have been studied for their potential therapeutic properties, such as anti-inflammatory and anticancer activities. The presence of hydroxyl and methoxy groups can enhance solubility and modify biological interactions.
  • Applications in Research: Molecules with intricate multiple oxygen functionalities play a crucial role in medicinal chemistry. They are often key intermediates in the synthesis of novel pharmaceuticals.
  • Isomerism: The stereochemistry of this compound can lead to various isomers, each potentially possessing different biological and chemical activities. Understanding these isomers is essential in drug design.
  • Analogous Compounds: Researchers often look at analogous compounds to understand reactivity patterns and predict behaviors. This compound’s structure could guide the synthesis of related compounds with desired properties.

In summary, 3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione serves as a captivating study subject in the realm of organic and medicinal chemistry, driving innovations in drug discovery and development.

Synonyms
Aflatoxin M2-d3
2,3,6a,8,9,9a-Hexahydro-9a-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
2,3,6a,8,9,9a-hexahydro-9a-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
SCHEMBL4747210
DTXSID20988553
MSK7210
CHEBI:174444
MSK7210-1A
HY-N6700
MSK7210-10A
AKOS040740685
FA17237
CS-0092595
NS00044712
Aflatoxin M2 solution in Acetonitrile, 1ug/mL
G91531
Aflatoxin M2 solution in Acetonitrile, 10ug/mL
3-(1-Piperidinyl)-1-(4-propoxyphenyl)-1-propanone Hydrochloride; 3-Piperidino-
9a-Hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-H]chromene-1,11-dione #