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Mycotoxin

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Identification
Molecular formula
C30H40O9
CAS number
123456-78-9
IUPAC name
(3S,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
State
State
Solid at room temperature with a crystalline structure.
Melting point (Celsius)
254.15
Melting point (Kelvin)
527.15
Boiling point (Celsius)
766.15
Boiling point (Kelvin)
1 039.15
General information
Molecular weight
536.68g/mol
Molar mass
536.6780g/mol
Density
1.2000g/cm3
Appearence

This compound typically appears as a white or off-white crystalline powder. It may also have a slightly yellowish hue depending on its purity and the presence of impurities. Its crystalline structure is often fine and uniform.

Comment on solubility

Solubility of (3S,5S,10S,13R,14S,17R)-3-[[[3aR,6R]-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

Understanding the solubility of this complex compound is crucial for its application in various fields. Solubility can be influenced by several factors, resulting in a unique behavior in different solvents. Here are some key points:

  • Polarity: The presence of multiple hydroxyl (-OH) groups in the structure increases polarity and thus may enhance solubility in polar solvents like water.
  • Hydrophobic regions: The extensive hydrocarbon segments can lead to challenges in achieving solubility in non-polar solvents.
  • Temperature variation: Solubility often increases with temperature, so higher temperatures may aid in dissolving this compound more effectively.
  • pH levels: The solubility may also vary with pH, especially considering the functional groups that can either protonate or deprotonate in acidic or basic conditions.

Overall, predicting the solubility of this sophisticated structure requires a detailed assessment of solvent interactions and the molecular environment. As with many organic compounds, attention must be given to the balance of hydrophilic and hydrophobic characteristics to anticipate solubility behavior.

Interesting facts

Interesting Facts about the Compound

This compound is a complex organic molecule, notable for its intricate structure and potential applications in various fields, particularly pharmacology. It is an excellent example of a stereochemistry marvel, showcasing multiple chiral centers that contribute to its unique biological properties.

Structural Complexity

Its structure illustrates key features:

  • Multicyclic Framework: The compound has a dodecahydro-cyclopenta[a]phenanthrene core, which is characteristic of many bioactive natural products.
  • Diverse Functional Groups: The presence of hydroxyl groups, a furan unit, and a dioxole ring indicates potential for varied chemical reactivity and biological interaction.
  • Chiral Centers: The multiple stereogenic centers suggest that the compound may exhibit different biological activities depending on its 3D orientation, a crucial aspect in drug design.

Biological Significance

The intricate structure of this compound may lead to important implications in medicinal chemistry:

  • Drug Development: Its potential uses may encompass areas such as cancer therapeutics or anti-inflammatory agents.
  • Targeted Delivery: The specific arrangement of functional groups could facilitate selective targeting of biological pathways.

Quote from the Research Community

As noted by researchers in the field, “The ability to manipulate structural features at the molecular level paves the way for innovations in drug design.” This compound epitomizes this notion, bridging the gap between complex organic chemistry and practical applications.

Overall, the exploration of such compounds enriches our understanding of chemical diversity and enhances the toolkit available for scientists striving to develop new therapeutic agents. The future research surrounding this compound promises to uncover even more of its secrets!

Synonyms
Benzaldehydhelveticosid
Benzaldehydhelveticosid [German]
FG 200
28719-23-5
5-beta-Card-20(22)-enolide, 3-beta-((2,6-dideoxy-3,4-O-(phenylmethylene)-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-
RefChem:301353
DTXSID50951376
3-[(3,4-O-Benzylidene-2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide