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CAS 77996-04-4

:

[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone

Description:
The chemical substance with the name "[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone" and CAS number 77996-04-4 is a complex organic compound characterized by its multi-ring structure and multiple hydroxyl functional groups. This compound features a cyclohexene core, which contributes to its rigidity and potential stereochemistry, as indicated by the specified stereocenters. The presence of multiple hydroxyl groups suggests that it may exhibit significant hydrogen bonding capabilities, influencing its solubility and reactivity. Additionally, the benzofuran moiety indicates potential biological activity, as compounds containing this structure are often associated with various pharmacological properties. The overall molecular architecture suggests that it may interact with biological systems, potentially serving as a lead compound in drug development or as a tool in biochemical research. Its specific properties, such as melting point, solubility, and spectral characteristics, would require empirical measurement for detailed characterization.
Formula:C34H28O9
InChI:InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
InChI key:InChIKey=WTGKDESIYCVAOP-UNTHUGQZSA-N
SMILES:C(=O)([C@@H]1[C@@H](C=C(C)C[C@H]1C2=C(O)C=C(O)C=C2)C3=C(O)C=C(C=C3O)C4=CC=5C(O4)=CC(O)=CC5)C6=C(O)C=C(O)C=C6
Synonyms:
  • Methanone, ((1S,2R,6R)-2-(2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl)-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl)(2,4-dihydroxyphenyl)-
  • Methanone, [2-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)-, [1S-(1α,2α,6β)]-
  • Mulberrofuran C
  • [(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone
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