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CAS 29706-96-5

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(-)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6,10(1H,11bH)-trione

Description:
The chemical substance known as (-)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6,10(1H,11bH)-trione, with the CAS number 29706-96-5, is a polycyclic aromatic compound characterized by its complex structure featuring multiple hydroxyl groups and a trione functional group. This compound is derived from benzo[cd]pyrene, a well-known polycyclic aromatic hydrocarbon (PAH) that is often studied for its environmental and biological significance. The presence of hydroxyl groups suggests potential for hydrogen bonding and increased solubility in polar solvents, while the trione structure indicates reactivity that could be relevant in various chemical processes. Additionally, the stereochemistry denoted by the prefix "(-)" indicates that this compound exists in a specific chiral form, which may influence its biological activity and interactions. Overall, this compound is of interest in fields such as environmental chemistry, toxicology, and medicinal chemistry due to its structural complexity and potential implications in health and environmental studies.
Formula:C22H16O7
InChI:InChI=1/C22H16O7/c1-7-4-8(23)14-17-13(7)11(26)6-12-21(2,3)20(28)16-10(25)5-9(24)15(19(14)27)18(16)22(12,17)29/h4-6,23-25,29H,1-3H3
InChI key:InChIKey=FRXZTKQCZPGFDX-UHFFFAOYNA-N
SMILES:OC12C=3C=4C(=O)C=5C1=C(C(=O)C=C2C(C)(C)C(=O)C3C(O)=CC4O)C(C)=CC5O
Synonyms:
  • (-)-3,5,7,11b-Tetrahydroxy-1,1,9-trimethyl-2H-benzo[cd]pyrene-2,6,10(1H,11bH)-trione
  • Resistoflavin
  • 2H-Benzo[cd]pyrene-2,6,10(1H,11bH)-trione, 3,5,7,11b-tetrahydroxy-1,1,9-trimethyl-, (-)-
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