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Spinosyn A

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Identification
Molecular formula
C41H65NO10
CAS number
131929-60-7
IUPAC name
(2S,4R,6R,7R,11S,14S,16S)-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde
State
State

At room temperature, Spinosyn A is generally in a solid state. It can be processed into a fine powder for use in various applications such as insecticides.

Melting point (Celsius)
129.50
Melting point (Kelvin)
402.65
Boiling point (Celsius)
499.85
Boiling point (Kelvin)
772.73
General information
Molecular weight
731.45g/mol
Molar mass
731.4510g/mol
Density
1.2650g/cm3
Appearence

Spinosyn A typically appears as a colorless to light yellow solid or crystalline substance. It may also be found in powdered form.

Comment on solubility

Solubility Insights

The solubility of the compound named (2S,4R,6R,7R,11S,14S,16S)-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde can be quite intricate due to its complex structure.

Key factors influencing its solubility include:

  • Functional Groups: The presence of dihydroxy groups indicates potential for hydrogen bonding, which may enhance solubility in polar solvents.
  • Hydrophobic Regions: The bulky pentacyclic structure may limit solubility in water but allow for good solubility in organic solvents.
  • Stereochemistry: The specific stereoconfiguration can influence how the molecule interacts with solvents, affecting solubility behavior.

In general:

  • This compound is predicted to have low solubility in water due to its large, lipophilic framework.
  • Conversely, it may exhibit better solubility in organic solvents like alcohols or ethers.
  • Such characteristics make it suitable for applications requiring specific solubility properties.

In conclusion: Solubility is a crucial property for this compound, and understanding it is essential for its potential applications in various fields, including pharmaceuticals and materials science.

Interesting facts

Interesting Facts about (2S,4R,6R,7R,11S,14S,16S)-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde

This fascinating chemical compound belongs to a class of substances known for their complex architecture and significant biological activity. Here are some intriguing aspects of this unique structure:

  • Stereochemistry: The specific stereochemical configuration of this compound is represented by its designation as (2S,4R,6R,7R,11S,14S,16S). This indicates the arrangement of atoms in three-dimensional space, which can significantly affect the compound's properties and biological interactions. It’s through these chiral centers that the compound exhibits its potential activities.
  • Natural Origin: Compounds with similar frameworks are often found in nature, and this specific compound is likely related to naturally occurring substances such as certain steroids or terpenes. Studying its natural analogs can provide insights into its ecological role and potential applications in medicine.
  • Biological Activities: The presence of hydroxyl and aldehyde functional groups suggests that this compound may exhibit interesting biological activities. Such groups are often involved in interactions with biological macromolecules, making it a candidate for pharmacological research.
  • Complex Structure: The pentacyclic framework is notable for its structural rigidity and stability. This type of structure is prepared using advanced synthetic techniques, making it a subject of interest for chemists seeking to create novel compounds with specific functional properties.
  • Applications in Research: Given its intricate design, this compound may serve as a lead compound in drug development. Understanding its mechanism could open doors for therapeutic interventions targeting various pathways in human health.

As a chemical scientist or student, exploring such a complex compound opens a gateway to understanding the relationships between structure and function, as well as potential applications in pharmaceuticals and materials science. Further studies could yield novel compounds or insights into designing targeted therapies based on its unique properties.

Synonyms
Bufotalinin
562-21-0
BRN 0060938
3-beta,5-Dihydroxy-14,15-beta-epoxy-19-oxo-5-beta-bufa-20,22-dienolide
5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5-DIHYDROXY-14,15-beta-EPOXY-19-OXO-
4-19-00-03021 (Beilstein Handbook Reference)
DTXSID40971588
Bufa-20,22-dienolide, 14,15-epoxy-3,5-dihydroxy-19-oxo-, (3-beta,5-beta,15-beta)-
3,5-Dihydroxy-19-oxo-14,15-epoxybufa-20,22-dienolide
(2S,4R,6R,7R,11S,14S,16S)-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde