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Hypocrellin B

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Identification
Molecular formula
C30H28O7
CAS number
6902-77-8
IUPAC name
7-(3-furyl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione
State
State

At room temperature, Hypocrellin B is in a solid state appearing as a red crystalline powder. This state is stable and maintains its form under normal conditions.

Melting point (Celsius)
294.00
Melting point (Kelvin)
567.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
510.55g/mol
Molar mass
510.5460g/mol
Density
1.6139g/cm3
Appearence

Hypocrellin B is typically a red crystalline powder. This compound has a striking appearance due to its bright red color, which is associated with its role as a photosensitizer and its complex molecular structure. The crystalline form reflects its solid-state at room temperature.

Comment on solubility

Solubility of 7-(3-furyl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione (C30H28O7)

The solubility of 7-(3-furyl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione primarily depends on its molecular structure and functional groups. Given its complex structure and the presence of polar oxygen atoms in the molecule, we can make some insightful observations:

  • Polar and Non-Polar Components: The compound exhibits both polar and non-polar characteristics due to the presence of furan rings and multiple methyl groups.
  • Solvent Interaction: This suggests that it may have limited solubility in non-polar solvents while showing better solubility in polar solvents, such as ethanol or acetone.
  • Temperature Effects: As with many organic compounds, the solubility may increase with temperature, allowing greater interaction with polar solvents.
  • Functional Groups: The presence of hydroxyl or carbonyl groups typically enhances solubility in water, especially when they can engage in hydrogen bonding.

In conclusion, while specific solubility data may not be readily available for this compound, it is likely to be more soluble in polar solvents compared to non-polar ones, due to its structural characteristics. Further experimental determination would provide precise solubility measurements and more detailed insights into its behavior in various solvents.

Interesting facts

Interesting Facts about 7-(3-Furyl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione

This compound is a fascinating member of a class of organic compounds that exhibit unique structural features and functional properties. Known for its complex polycyclic framework, it belongs to the category of triones, which have multiple carbonyl groups yet retain structural integrity through their cyclic or polycyclic arrangements.

Here are some intriguing aspects of this compound:

  • Furyl Group Influence: The presence of the furan (3-furyl) group enhances the compound’s reactivity and allows for potential applications in organic synthesis. Furans are aromatic compounds that contribute to the unique electrophilic and nucleophilic properties of the molecule.
  • Polycyclic Framework: The pentacyclic structure provides unique three-dimensional spatial arrangements that can influence how the molecule interacts with other biological molecules, making it a subject of interest in medicinal chemistry.
  • Potential Applications: Due to its structure, it may exhibit anti-inflammatory, anti-viral, or other pharmacological activities. Researchers are increasingly interested in similar compounds for drug development.
  • Complex Synthesis: The synthesis of such a compound would require advanced organic chemistry techniques, showcasing the ingenuity of organic chemists who can manipulate carbon scaffolds to create new compounds.
  • Environmental Implications: Advances in understanding these types of complex polycyclic compounds contribute to fields like environmental chemistry, where understanding the breakdown and transformation of organic substances in nature is crucial.

As a reminder, in the realm of organic compounds, structure often dictates function, and this compound is no exception. Ongoing research into the properties and potential uses of compounds like this one continues to unveil the complexities and capabilities of organic chemistry.

Synonyms
7-Deacetyl-7-oxogedunin
13072-74-7
Desacetoxy-oxo-7-gedunine
7-Desacetoxy-7-oxogedunin
7-Oxo-7-deacetoxygedunin
NSC 309908
7-deacetoxy-7-oxogedunin
7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione
16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactone
D-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-
NSC309908
7-Oxodeacetoxydihydro-..-gedunol
7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadec-13-ene-5,15,19-trione
GEDUNIN, 7-KETO
SCHEMBL20639417
DTXSID70926869
16,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactone
D-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,13alpha,14beta,15beta,17aalpha)-
7-Oxodeacetoxydihydro-.alpha.-gedunol
NSC-309908
(1S,3aS,41R,4a1R,10aS,12aS)-1-(furan-3-yl)-5-methoxy-4a1,7,7,10a,12a-pentamethyl-6,6a,7,10a,10b,11,12,12a-octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(1H,3aH,4a1H)-trione
1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-1,6a,7,10a,10b,11,12,12a-octahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3ah,4bh,6H)-trione #
10-(Furan-3-yl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydrooxireno[c]phenanthro[1,2-d]pyran-3,6,8(4H,5H,7aH)-trione
16,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactone
16,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactone (8CI)
D-Homo-24-nor-17-oxachola-1,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-