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Rubratoxin B

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Identification
Molecular formula
C29H38O10
CAS number
485-74-3
IUPAC name
(3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
State
State

At room temperature, Rubratoxin B is typically found in a solid state. It is a stable compound under normal conditions, ensuring that it maintains its solid crystalline form when stored appropriately.

Melting point (Celsius)
238.00
Melting point (Kelvin)
511.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
534.65g/mol
Molar mass
534.6460g/mol
Density
1.3700g/cm3
Appearence

Rubratoxin B is typically a crystalline solid, which may appear in colors ranging from white to off-white depending on its level of purity and any impurities that may be present.

Comment on solubility

Solubility of (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

The solubility of this complex organic compound can be influenced by several factors, given its unique structural characteristics:

  • Polarity: The presence of multiple hydroxyl groups (-OH) suggests that the compound could exhibit considerable polarity, potentially enhancing its solubility in polar solvents like water.
  • Hydrophobic Regions: With a large hydrophobic cyclopentaphenanthrene structure, this compound may show limited solubility in non-polar solvents despite the presence of polar functional groups.
  • Hydrogen Bonding: The ability to form hydrogen bonds with water molecules could lead to increased solubility; however, steric hindrance and molecular size can complicate this interaction.

It's important to note that solubility may also be affected by:

  • Temperature: Increasing temperature often enhances solubility for many organic compounds.
  • pH Levels: The ionization state of hydroxyl groups may change with varying pH, affecting solubility.
  • Presence of Other Solvents: The addition of cosolvents or surfactants might improve solubility in specific applications.

In conclusion, while the theoretical factors suggest a potential for solubility, empirical testing is essential to accurately determine the solubility profile of this particular compound.

Interesting facts

Exploring a Complex Compound

The compound identified as (3S,5S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2S,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde is a fascinating example of a complex organic molecule. Among its many interesting features, the following stand out:

  • Structural Complexity: This compound showcases a biologically relevant structure with multiple stereocenters, highlighting the intricate nature of organic synthesis and the importance of chirality in pharmacology.
  • Functional Groups: With multiple hydroxy (-OH) and aldehyde (-CHO) groups, this compound demonstrates how functionalization can greatly influence chemical reactivity and biological activity.
  • Natural Product Potential: Compounds of this type are often found in natural products, which are frequently the basis for the development of new pharmaceuticals. They serve as valuable templates for drug design.
  • Biological Significance: Although specifics on this compound's biological activity may not be entirely characterized, derivatives of similar structures often exhibit significant anti-inflammatory and antioxidant effects.
  • Tetrahydropyran Ring: The presence of a tetrahydropyran moiety emphasizes the diversity of cyclic structures that are integral to complex organic compounds, often contributing to their stability and biological properties.

In the realm of organic chemistry, the synthesis and analysis of such complex compounds provide critical insights into both the methodologies employed in their creation and their potential applications in various fields, including medicinal chemistry. This compound serves as a reminder of the intricate balance between structure and function in chemistry, challenging chemists to unlock the secrets held within its molecular architecture.

Synonyms
SCHEMBL29939469
DTXSID10942442
3-[(6-Deoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-oxobufa-20,22-dienolide