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CAS 179388-53-5

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5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde

Description:
The chemical substance with the name "5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde" and CAS number 179388-53-5 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl (-OH) and aldehyde (-CHO) groups. This compound features a naphthalene derivative with a decahydro structure, indicating a saturated bicyclic system, and it possesses several stereocenters, contributing to its chiral nature. The presence of multiple hydroxyl groups suggests potential for hydrogen bonding, which may influence its solubility and reactivity. Additionally, the compound's structure indicates potential applications in fields such as pharmaceuticals or natural product chemistry, where such complex molecules are often investigated for their biological activity. Its specific properties, such as melting point, boiling point, and solubility, would require empirical measurement or detailed computational analysis for precise characterization.
Formula:C28H40O6
InChI:InChI=1/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18?,21+,22+,28+/m1/s1
InChI key:InChIKey=OOAOETHJYYAVCC-GNLPDQNGSA-N
SMILES:[C@H](CC(C)C)([C@]1([C@@]2(C)[C@@](C[C@H]([C@@](C)(C)O)CC2)(C(=C)CC1)[H])[H])C3=C(O)C(C=O)=C(O)C(C=O)=C3O
Synonyms:
  • 1,3-Benzenedicarboxaldehyde, 5-[1-[decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-, [1S-[1α(R*),4aβ,6α,8aα]]-
  • Macrocarpal H
  • 5-[(1S)-1-[(1S,4aS,6R,8aS)-Decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
  • 1,3-Benzenedicarboxaldehyde, 5-[(1S)-1-[(1S,4aS,6R,8aS)-decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-
  • See more synonyms
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